Z-β-alanine methyl ester

CAT: 0024-sc-475104Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-475104Size:1 g

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CAS Number

54755-77-0

Chemical Information

Methyl 3-([(benzyloxy)carbonyl]amino)propanoate

CAS Number	54755-77-0
PubChem CID	376763
IUPAC Name	methyl 3-(phenylmethoxycarbonylamino)propanoate
Molecular Formula	C12H15NO4
Molecular Weight	237.25
XLogP	1.3
Topological Polar Surface Area	64.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	17
Formal Charge	0
Complexity	249

SMILES

COC(=O)CCNC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C12H15NO4/c1-16-11(14)7-8-13-12(15)17-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,15)

InChIKey

LWSYHFSVQUXZJI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 54755-77-0

CID: 376763

Formula: C12H15NO4

MW: 237.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	237.25
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	237.10010796
Monoisotopic Mass	237.10010796
Topological Polar Surface Area	64.6 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	249
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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
sc-286900A	Z-L-alanine methyl ester
sc-286900	Z-L-alanine methyl ester
sc-296840A	Z-N-methyl-D-alanine
sc-296840	Z-N-methyl-D-alanine
sc-296725A	Z-beta-alanine N-hydroxysuccinimide ester
sc-286876A	Z-D-alanine-N-hydroxysuccinimide ester
sc-296749	Z-DL-alanine-N-hydroxysuccinimide ester
sc-296725	Z-beta-alanine N-hydroxysuccinimide ester
sc-296766A	Z-L-alanine beta-naphthyl ester
sc-296749A	Z-DL-alanine-N-hydroxysuccinimide ester

Catalog	Name
260788-01	Z-beta-alanine methyl ester
260790-01	Z-L-alanine methyl ester
242639-01	Z-b-alanine methyl ester
242749-01	Z-L-alanine methyl ester 98+% (HPLC)
TRC-E565310-5MG	(Z,Z)-Epalrestat Methyl Ester
469042	(Z, Z) -Epalrestat Methyl Ester
167257	β-Alanine Methyl Ester Hydrochloride
273890-01	Z-dehydroalanine methyl ester
281466-01	Z-Leucine methyl ester
RG-A262278-01	N-Methyl-D-Alanine Methyl Ester