Name: Name:3-[(4-tert-butylphenyl)formamido]propanoic acid
Brand: Angene
SKU: AG019IG9
Rating: 90 (10 reviews)

3-[(4-tert-butylphenyl)formamido]propanoic acid

CAS No.:

111830-21-8

Catalog Number:

AG019IG9

Molecular Formula:

C14H19NO3

Molecular Weight:

249.3056

Catalog Number:

AG019IG9

Chemical Name:

3-[(4-tert-butylphenyl)formamido]propanoic acid

CAS Number:

111830-21-8

Molecular Formula:

C14H19NO3

Molecular Weight:

249.3056

MDL Number:

MFCD02936746

IUPAC Name:

3-[(4-tert-butylbenzoyl)amino]propanoic acid

InChI:

InChI=1S/C14H19NO3/c1-14(2,3)11-6-4-10(5-7-11)13(18)15-9-8-12(16)17/h4-7H,8-9H2,1-3H3,(H,15,18)(H,16,17)

InChI Key:

HJOIFNWQEBIKGT-UHFFFAOYSA-N

SMILES:

O=C(c1ccc(cc1)C(C)(C)C)NCCC(=O)O

Complexity:

299

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

249.136g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

249.31g/mol

Monoisotopic Mass:

249.136g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4