(2R)-2-[[2-(2-methoxyphenyl)benzoyl]amino]-4-methylpentanoic acid

C20H23NO4 — CID 167810272

IUPAC(2R)-2-[[2-(2-methoxyphenyl)benzoyl]amino]-4-methylpentanoic acid
SMILESCOc1ccccc1-c1ccccc1C(=O)N[C@H](CC(C)C)C(=O)O
InChIInChI=1S/C20H23NO4/c1-13(2)12-17(20(23)24)21-19(22)16-10-5-4-8-14(16)15-9-6-7-11-18(15)25-3/h4-11,13,17H,12H2,1-3H3,(H,21,22)(H,23,24)/t17-/m1/s1
InChIKeyWTJIGKZJOVZZRD-QGZVFWFLSA-N
MW341.41 g/mol
LogP3.59
Rot. Bonds7

About (2R)-2-[[2-(2-methoxyphenyl)benzoyl]amino]-4-methylpentanoic acid

(2R)-2-[[2-(2-methoxyphenyl)benzoyl]amino]-4-methylpentanoic acid (PubChem CID 167810272) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is (2R)-2-[[2-(2-methoxyphenyl)benzoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(2-methoxyphenyl)benzoyl]amino]-4-methylpentanoic acid
PubChem CID167810272
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name(2R)-2-[[2-(2-methoxyphenyl)benzoyl]amino]-4-methylpentanoic acid
SMILESCOc1ccccc1-c1ccccc1C(=O)N[C@H](CC(C)C)C(=O)O
InChIInChI=1S/C20H23NO4/c1-13(2)12-17(20(23)24)21-19(22)16-10-5-4-8-14(16)15-9-6-7-11-18(15)25-3/h4-11,13,17H,12H2,1-3H3,(H,21,22)(H,23,24)/t17-/m1/s1
InChIKeyWTJIGKZJOVZZRD-QGZVFWFLSA-N
XLogP3.59
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 42255886
4-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoic acid
CID 4974681
(2R)-2-[(3-methoxypyridine-4-carbonyl)amino]-4-methylpentanoic acid
CID 105063148
2-[(4-bromo-2-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 115368583
(2R)-2-[[2-(2-ethoxyethoxy)benzoyl]amino]-4-methylpentanoic acid
CID 119364108
(2R)-4-methyl-2-[(2-propan-2-ylsulfanylbenzoyl)amino]pentanoic acid
CID 119363699
(2R)-4-methyl-2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]pentanoic acid
CID 119364440
(2R)-4-methyl-2-[(2-methylsulfonylbenzoyl)amino]pentanoic acid
CID 41119776
(2R)-4-methyl-2-[(4-phenyl-1H-pyrrole-3-carbonyl)amino]pentanoic acid
CID 119363334
4-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]pentanoic acid
CID 16772294
(2S)-2-[[2-(2-chloro-6-methoxyphenyl)acetyl]amino]-4-methylpentanoic acid
CID 57102690
(2S)-2-[[5-(2-methoxyphenyl)furan-2-carbonyl]amino]butanoic acid
CID 170211559

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(2-methoxyphenyl)benzoyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[2-(2-methoxyphenyl)benzoyl]amino]-4-methylpentanoic acid (CID 167810272) is (2R)-2-[[2-(2-methoxyphenyl)benzoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[2-(2-methoxyphenyl)benzoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[2-(2-methoxyphenyl)benzoyl]amino]-4-methylpentanoic acid is COc1ccccc1-c1ccccc1C(=O)N[C@H](CC(C)C)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(2-methoxyphenyl)benzoyl]amino]-4-methylpentanoic acid?
The InChIKey is WTJIGKZJOVZZRD-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23NO4/c1-13(2)12-17(20(23)24)21-19(22)16-10-5-4-8-14(16)15-9-6-7-11-18(15)25-3/h4-11,13,17H,12H2,1-3H3,(H,21,22)(H,23,24)/t17-/m1/s1.
What are the key properties of (2R)-2-[[2-(2-methoxyphenyl)benzoyl]amino]-4-methylpentanoic acid?
(2R)-2-[[2-(2-methoxyphenyl)benzoyl]amino]-4-methylpentanoic acid has a molecular weight of 341.41 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(2-methoxyphenyl)benzoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 167810272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).