3- (Boc-amino) cyclohexanecarboxylic acid

CAT: 0127-OR307109-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR307109-01Size:250 mg

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CAS Number

334932-13-7

MDL Number

MFCD03453252

Purity

98%

Smiles

CC(C)(C)OC(=O)NC1CCCC(C1)C(=O)O

Chemical Information

3-(((Tert-butoxy)carbonyl)amino)cyclohexane-1-carboxylic acid

CAS Number	334932-13-7
PubChem CID	4420316
IUPAC Name	3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
Molecular Formula	C12H21NO4
Molecular Weight	243.30
XLogP	1.7
Topological Polar Surface Area	75.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	17
Formal Charge	0
Complexity	295

SMILES

CC(C)(C)OC(=O)NC1CCCC(C1)C(=O)O

InChI

InChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-9-6-4-5-8(7-9)10(14)15/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15)

InChIKey

JSGHMGKJNZTKGF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 334932-13-7

CID: 4420316

Formula: C12H21NO4

MW: 243.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	243.30
XLogP3	1.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	243.14705815
Monoisotopic Mass	243.14705815
Topological Polar Surface Area	75.6 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	295
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR307110-01	Cis-4- (Boc-amino) cyclohexanecarboxylic acid
OR1008971-01	1- (Fmoc-Amino) Cyclohexanecarboxylic Acid
OR309359	Trans-2-Amino-cyclohexanecarboxylic acid
OR1074531-01	Cis-3- ((tert-Butoxycarbonyl) amino) cyclohexanecarboxylic acid
OR312136-01	1- ((tert-Butoxycarbonyl) amino) cyclohexanecarboxylic acid
OR308193	Cis-2-Amino-1-cyclohexanecarboxylic acid
OR90218-01	1- (((Benzyloxy) carbonyl) amino) cyclohexanecarboxylic acid
OR1067993-01	2- ((tert-Butoxycarbonyl) amino) cyclohexanecarboxylic acid
OR1039381-01	3- (Methoxycarbonyl) cyclohexanecarboxylic acid
BUP18049	Cyclohexanecarboxylic Acid

Catalog	Name
FFA30946	4- (Boc-amino) cyclohexanecarboxylic acid
266945-01	3- (Boc-amino) cyclohexanecarboxylic acid
444682-01	Cis-4- (Boc-amino) cyclohexanecarboxylic Acid
444605-01	Cis- (+/-) -3- (Boc-amino) cyclohexanecarboxylic Acid
455880-01	Methyl cis-4- (Boc-amino) cyclohexanecarboxylic acid
408405-01	1- (Fmoc-amino) cyclohexanecarboxylic acid
5-02277	1-(Z-amino)Cyclohexanecarboxylic acid
sc-286824A	Trans-2-Amino-cyclohexanecarboxylic acid
sc-272646	Trans-4-Amino-cyclohexanecarboxylic acid
sc-264663	1-Amino-cyclohexanecarboxylic acid HCl