CAS 75040-72-1 | Propanamide, 2-amino-N-(phenylmethyl)-, (2S)- | CAS Number 75040-72-1

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75040-72-1 | Propanamide, 2-amino-N-(phenylmethyl)-, (2S)-

CAS No: 75040-72-1 Catalog No: AG005ENQ MDL No:MFCD09724356

Product Description

Catalog Number:

AG005ENQ

Chemical Name:

Propanamide, 2-amino-N-(phenylmethyl)-, (2S)-

CAS Number:

75040-72-1

Molecular Formula:

C10H14N2O

Molecular Weight:

178.2310

MDL Number:

MFCD09724356

IUPAC Name:

(2S)-2-amino-N-benzylpropanamide

InChI:

InChI=1S/C10H14N2O/c1-8(11)10(13)12-7-9-5-3-2-4-6-9/h2-6,8H,7,11H2,1H3,(H,12,13)/t8-/m0/s1

InChI Key:

VRHPVAHXPQMOJZ-QMMMGPOBSA-N

SMILES:

C[C@@H](C(=O)NCc1ccccc1)N

Properties

Complexity:

164

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

178.111g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

178.235g/mol

Monoisotopic Mass:

178.111g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5

Literature

Title	Journal
Primary amino acid derivatives: substitution of the 4'-N'-benzylamide site in (R)-N'-benzyl 2-amino-3-methylbutanamide, (R)-N'-benzyl 2-amino-3,3-dimethylbutanamide, and (R)-N'-benzyl 2-amino-3-methoxypropionamide provides potent anticonvulsants with pain-attenuating properties.	Journal of medicinal chemistry 20111013
Primary amino acid derivatives: compounds with anticonvulsant and neuropathic pain protection activities.	Journal of medicinal chemistry 20110714
1,2-Diamines as inhibitors of co-activator associated arginine methyltransferase 1 (CARM1).	Bioorganic & medicinal chemistry letters 20091201