(2R)-2-[3-(2-methoxyphenyl)butanoylamino]-2-phenylacetic acid

C19H21NO4 — CID 119367831

IUPAC(2R)-2-[3-(2-methoxyphenyl)butanoylamino]-2-phenylacetic acid
SMILESCOc1ccccc1C(C)CC(=O)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C19H21NO4/c1-13(15-10-6-7-11-16(15)24-2)12-17(21)20-18(19(22)23)14-8-4-3-5-9-14/h3-11,13,18H,12H2,1-2H3,(H,20,21)(H,22,23)/t13?,18-/m1/s1
InChIKeyYJOBXNIZUZKUOS-PQJIZZRHSA-N
MW327.38 g/mol
LogP3.13
Rot. Bonds7

About (2R)-2-[3-(2-methoxyphenyl)butanoylamino]-2-phenylacetic acid

(2R)-2-[3-(2-methoxyphenyl)butanoylamino]-2-phenylacetic acid (PubChem CID 119367831) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is (2R)-2-[3-(2-methoxyphenyl)butanoylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[3-(2-methoxyphenyl)butanoylamino]-2-phenylacetic acid
PubChem CID119367831
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name(2R)-2-[3-(2-methoxyphenyl)butanoylamino]-2-phenylacetic acid
SMILESCOc1ccccc1C(C)CC(=O)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C19H21NO4/c1-13(15-10-6-7-11-16(15)24-2)12-17(21)20-18(19(22)23)14-8-4-3-5-9-14/h3-11,13,18H,12H2,1-2H3,(H,20,21)(H,22,23)/t13?,18-/m1/s1
InChIKeyYJOBXNIZUZKUOS-PQJIZZRHSA-N
XLogP3.13
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[3-(2-methoxyphenyl)butanoylamino]-2-phenylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S)-2-[[(3S)-3-(2-methoxyphenyl)butanoyl]amino]-3-methylpentanoic acid
CID 98851400
3-amino-N-[1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 119948894
(2S)-2-[[2-[3-(2-methoxyphenyl)butanoylamino]acetyl]amino]-4-methylpentanoic acid
CID 120695779
2-[(2-methoxyacetyl)amino]-2-phenylacetic acid
CID 16776085
(3S)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]oxy-3-(2-methoxyphenyl)butanamide
CID 125420173
N-(2-aminoethyl)-3-(2-methoxyphenyl)butanamide
CID 119382744
2-[(3-methoxy-3-methylbutanoyl)amino]-2-phenylacetic acid
CID 103018116
ethane;2-phenyl-2-(propanoylamino)acetic acid
CID 169177605
(2R)-2-phenyl-2-(3-phenylpentanoylamino)acetic acid
CID 119368014
(2S)-2-[(4-methoxy-4-oxobutanoyl)amino]-2-phenylacetic acid
CID 108808775
(2S)-2-(3-methoxypropanoylamino)-2-phenylacetic acid
CID 93310108
N-(3-aminobutyl)-3-(2-methoxyphenyl)butanamide;hydrochloride
CID 119495811

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(2-methoxyphenyl)butanoylamino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[3-(2-methoxyphenyl)butanoylamino]-2-phenylacetic acid (CID 119367831) is (2R)-2-[3-(2-methoxyphenyl)butanoylamino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[3-(2-methoxyphenyl)butanoylamino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[3-(2-methoxyphenyl)butanoylamino]-2-phenylacetic acid is COc1ccccc1C(C)CC(=O)N[C@@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-[3-(2-methoxyphenyl)butanoylamino]-2-phenylacetic acid?
The InChIKey is YJOBXNIZUZKUOS-PQJIZZRHSA-N. The full InChI is InChI=1S/C19H21NO4/c1-13(15-10-6-7-11-16(15)24-2)12-17(21)20-18(19(22)23)14-8-4-3-5-9-14/h3-11,13,18H,12H2,1-2H3,(H,20,21)(H,22,23)/t13?,18-/m1/s1.
What are the key properties of (2R)-2-[3-(2-methoxyphenyl)butanoylamino]-2-phenylacetic acid?
(2R)-2-[3-(2-methoxyphenyl)butanoylamino]-2-phenylacetic acid has a molecular weight of 327.38 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(2-methoxyphenyl)butanoylamino]-2-phenylacetic acid is sourced from PubChem (CID 119367831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).