N-Boc-DL-alanine methyl ester

CAT: 0127-OR1053974-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1053974-01Size:250 mg

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CAS Number

112392-66-2

MDL Number

MFCD01457305

Purity

95%

Smiles

CC(C(OC)=O)NC(OC(C)(C)C)=O

Chemical Information

Methyl 2-{[(tert-butoxy)carbonyl]amino}propanoate

CAS Number	112392-66-2
PubChem CID	545713
IUPAC Name	methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Molecular Formula	C9H17NO4
Molecular Weight	203.24
XLogP	0.8
Topological Polar Surface Area	64.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	14
Formal Charge	0
Complexity	219

SMILES

CC(C(=O)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C9H17NO4/c1-6(7(11)13-5)10-8(12)14-9(2,3)4/h6H,1-5H3,(H,10,12)

InChIKey

GJDICGOCZGRDFM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 112392-66-2

CID: 545713

Formula: C9H17NO4

MW: 203.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	203.24
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	203.11575802
Monoisotopic Mass	203.11575802
Topological Polar Surface Area	64.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	219
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR916415-01	Boc-N-methyl-DL-alanine
OR1014293-01	N-Boc-Dl-Serine Methyl Ester
OR471627-01	N-Boc-D-Alanine methyl ester
OR5299-01	DL-Alanine methyl ester hydrochloride
OR930477-01	N-Methyl-DL-alanine
OR61274-01	L-Alanine methyl ester, N-BOC protected
PC407001	N-Acetyl-DL- (4-fluorophenyl) alanine methyl ester
PC407002	N-Acetyl-DL- (2-fluorophenyl) alanine methyl ester
OR471067	N-Boc-6-hydroxy-DL-norleucine Methyl Ester
OR452084-01	Fmoc-N-methyl-DL-alanine

Catalog	Name
006057	N- (Chloroacetyl) -DL-alanine Methyl Ester
458110-01	N-Benzoyl-DL-alanine methyl ester
MBS6014771-01	N-(Chloroacetyl)-DL-alanine Methyl Ester
AR-A05824-01	N-trifluoroacetyl-DL-Alanine Methyl Ester
HY-W005308-01	N-BOC-DL-serine methyl ester
FA37427-01	DL-Alanine methyl ester hydrochloride
447471-01	DL-Alanine methyl ester, HCl
AR-A05823-01	DL-Alanine Methyl Ester HCl
265251-01	Boc-L-alanine methyl ester
265253	Boc-D-alanine methyl ester