2-[benzyl(2-phenylbutanoyl)amino]acetic acid

C19H21NO3 — CID 120606600

IUPAC2-[benzyl(2-phenylbutanoyl)amino]acetic acid
SMILESCCC(C(=O)N(CC(=O)O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO3/c1-2-17(16-11-7-4-8-12-16)19(23)20(14-18(21)22)13-15-9-5-3-6-10-15/h3-12,17H,2,13-14H2,1H3,(H,21,22)
InChIKeyRIOKLOPXIXECJR-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.29
Rot. Bonds7

About 2-[benzyl(2-phenylbutanoyl)amino]acetic acid

2-[benzyl(2-phenylbutanoyl)amino]acetic acid (PubChem CID 120606600) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-[benzyl(2-phenylbutanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[benzyl(2-phenylbutanoyl)amino]acetic acid
PubChem CID120606600
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name2-[benzyl(2-phenylbutanoyl)amino]acetic acid
SMILESCCC(C(=O)N(CC(=O)O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO3/c1-2-17(16-11-7-4-8-12-16)19(23)20(14-18(21)22)13-15-9-5-3-6-10-15/h3-12,17H,2,13-14H2,1H3,(H,21,22)
InChIKeyRIOKLOPXIXECJR-UHFFFAOYSA-N
XLogP3.29
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-amino-2-oxoethyl)-(2-phenylbutanoyl)amino]acetic acid
CID 107434077
N,N-bis(2-methylpropyl)-2-phenylbutanamide
CID 4080662
N-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylbutanamide
CID 4002372
N-benzyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylbutanamide
CID 4284142
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide
CID 42773075
2-[(2-amino-4-methylpentanoyl)-benzylamino]acetic acid
CID 70469466
2-[benzyl-(2-hydroxy-2-pyridin-3-ylacetyl)amino]acetic acid
CID 167954016
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-butyl-2-phenylbutanamide
CID 3979409
2-[4-[[2-phenylbutanoyl(3-phenylpropyl)amino]methyl]phenyl]benzoic acid
CID 66774123
N-[(1-benzylpyrrol-2-yl)methyl]-2-phenyl-N-propylbutanamide
CID 4545612
2-[ethyl-[2-(4-methoxyphenyl)butanoyl]amino]acetic acid
CID 120686488
N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;hydrochloride
CID 10125724

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(2-phenylbutanoyl)amino]acetic acid?
The IUPAC name of 2-[benzyl(2-phenylbutanoyl)amino]acetic acid (CID 120606600) is 2-[benzyl(2-phenylbutanoyl)amino]acetic acid.
What is the SMILES notation for 2-[benzyl(2-phenylbutanoyl)amino]acetic acid?
The canonical SMILES for 2-[benzyl(2-phenylbutanoyl)amino]acetic acid is CCC(C(=O)N(CC(=O)O)Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-[benzyl(2-phenylbutanoyl)amino]acetic acid?
The InChIKey is RIOKLOPXIXECJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-2-17(16-11-7-4-8-12-16)19(23)20(14-18(21)22)13-15-9-5-3-6-10-15/h3-12,17H,2,13-14H2,1H3,(H,21,22).
What are the key properties of 2-[benzyl(2-phenylbutanoyl)amino]acetic acid?
2-[benzyl(2-phenylbutanoyl)amino]acetic acid has a molecular weight of 311.38 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(2-phenylbutanoyl)amino]acetic acid is sourced from PubChem (CID 120606600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).