Name: Name:3-methyl-2-[(2-methylphenyl)formamido]butanoic acid
Brand: Angene
SKU: AG019J1X
Rating: 90 (10 reviews)

3-methyl-2-[(2-methylphenyl)formamido]butanoic acid

CAS No.:

1396968-32-3

Catalog Number:

AG019J1X

Molecular Formula:

C13H17NO3

Molecular Weight:

235.2790

Catalog Number:

AG019J1X

Chemical Name:

3-methyl-2-[(2-methylphenyl)formamido]butanoic acid

CAS Number:

1396968-32-3

Molecular Formula:

C13H17NO3

Molecular Weight:

235.2790

MDL Number:

MFCD04621558

IUPAC Name:

3-methyl-2-[(2-methylbenzoyl)amino]butanoic acid

InChI:

InChI=1S/C13H17NO3/c1-8(2)11(13(16)17)14-12(15)10-7-5-4-6-9(10)3/h4-8,11H,1-3H3,(H,14,15)(H,16,17)

InChI Key:

DGRVECXJCRCMGT-UHFFFAOYSA-N

SMILES:

CC(C(C(=O)O)NC(=O)c1ccccc1C)C

Complexity:

288

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

235.121g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

235.283g/mol

Monoisotopic Mass:

235.121g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5