Cis-3-Aminocyclohexanecarboxylic acid

CAT: 0127-OR1062352-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1062352-01Size:1 g

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CAS Number

16636-51-4

MDL Number

MFCD11042667

Purity

96%

Smiles

N[C@H]1CCC[C@H](C1)C(O)=O

Chemical Information

cis-3-Aminocyclohexanecarboxylic acid

See also: rac-(1R,3S)-3-aminocyclohexane-1-carboxylic acid (annotation moved to).

CAS Number	16636-51-4
PubChem CID	3082488
IUPAC Name	cis-(1R,3S)-3-aminocyclohexane-1-carboxylic acid
Molecular Formula	C7H13NO2
Molecular Weight	143.18
XLogP	-2.2
Topological Polar Surface Area	63.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	136

SMILES

C1C[C@H](C[C@H](C1)N)C(=O)O

InChI

InChI=1S/C7H13NO2/c8-6-3-1-2-5(4-6)7(9)10/h5-6H,1-4,8H2,(H,9,10)/t5-,6+/m1/s1

InChIKey

CKTUXQBZPWBFDX-RITPCOANSA-N

Chemical Structure

2D Structure

CAS: 16636-51-4

CID: 3082488

Formula: C7H13NO2

MW: 143.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	143.18
XLogP3	-2.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	143.094628657
Monoisotopic Mass	143.094628657
Topological Polar Surface Area	63.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	136
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1059974-01	Trans-3-Aminocyclohexanecarboxylic acid
OR1072035-01	Trans-3-Aminocyclohexanecarboxylic acid hydrochloride
OR1077466	(1R,3S) -3-Aminocyclohexanecarboxylic Acid
OR350005-01	1-Aminocyclohexanecarboxylic Acid
OR1073600-01	(1S,3R) -3-Aminocyclohexanecarboxylic acid hydrochloride
OR300710	1-Aminocyclohexanecarboxylic acid hydrochloride
OR480822-01	(1R,3S) -3-Aminocyclohexanecarboxylic acid hydrochloride
OR1015281-01	Trans-4-Aminocyclohexanecarboxylic Acid
OR54743	4-Aminocyclohexanecarboxylic acid hydrochloride
OR307111	(1R,2R) -2-Aminocyclohexanecarboxylic acid

Catalog	Name
sc-472843	Cis-3-Aminocyclohexanecarboxylic Acid
AR-C06205-01	Cis-3-Aminocyclohexanecarboxylic Acid HCl
sc-470788	Z-cis-3-aminocyclohexanecarboxylic acid
444685-01	Cis-4-Aminocyclohexanecarboxylic Acid
278142-01	Fmoc-cis-2-aminocyclohexanecarboxylic acid
266679-01	Boc-cis-2-aminocyclohexanecarboxylic acid
261328-01	Z-cis-4-aminocyclohexanecarboxylic acid
261323-01	Z-cis-2-aminocyclohexanecarboxylic acid
242649-01	Z-cis-3-aminocyclohexanecarboxylic acid 99+% (HPLC)
sc-472191	3-Aminocyclohexanecarboxylic Acid