Name: Name:β-Alanine, N-[(phenylamino)carbonyl]-
Brand: Angene
SKU: AG0007LB
Rating: 90 (10 reviews)

β-Alanine, N-[(phenylamino)carbonyl]-

CAS No.:

10250-66-5

Catalog Number:

AG0007LB

Molecular Formula:

C10H12N2O3

Molecular Weight:

208.2139

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Product Description

Catalog Number:

AG0007LB

Chemical Name:

β-Alanine, N-[(phenylamino)carbonyl]-

CAS Number:

10250-66-5

Molecular Formula:

C10H12N2O3

Molecular Weight:

208.2139

MDL Number:

MFCD00099344

IUPAC Name:

3-(phenylcarbamoylamino)propanoic acid

InChI:

InChI=1S/C10H12N2O3/c13-9(14)6-7-11-10(15)12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,13,14)(H2,11,12,15)

InChI Key:

IYVODFJSPSNFKO-UHFFFAOYSA-N

SMILES:

O=C(Nc1ccccc1)NCCC(=O)O

NSC Number:

87167

Properties

Complexity:

225

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

208.085g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

208.217g/mol

Monoisotopic Mass:

208.085g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

78.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101

Properties