(2S)-2-[(2-methoxybenzoyl)amino]-4-methylpentanoic acid

C14H19NO4 — CID 42255886

IUPAC(2S)-2-[(2-methoxybenzoyl)amino]-4-methylpentanoic acid
SMILESCOc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)O
InChIInChI=1S/C14H19NO4/c1-9(2)8-11(14(17)18)15-13(16)10-6-4-5-7-12(10)19-3/h4-7,9,11H,8H2,1-3H3,(H,15,16)(H,17,18)/t11-/m0/s1
InChIKeyCPSAVFUIKUGHHH-NSHDSACASA-N
MW265.31 g/mol
LogP1.92
Rot. Bonds6

About (2S)-2-[(2-methoxybenzoyl)amino]-4-methylpentanoic acid

(2S)-2-[(2-methoxybenzoyl)amino]-4-methylpentanoic acid (PubChem CID 42255886) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2S)-2-[(2-methoxybenzoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-methoxybenzoyl)amino]-4-methylpentanoic acid
PubChem CID42255886
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(2S)-2-[(2-methoxybenzoyl)amino]-4-methylpentanoic acid
SMILESCOc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)O
InChIInChI=1S/C14H19NO4/c1-9(2)8-11(14(17)18)15-13(16)10-6-4-5-7-12(10)19-3/h4-7,9,11H,8H2,1-3H3,(H,15,16)(H,17,18)/t11-/m0/s1
InChIKeyCPSAVFUIKUGHHH-NSHDSACASA-N
XLogP1.92
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-(2-methoxyphenyl)benzoyl]amino]-4-methylpentanoic acid
CID 167810272
(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
N-(1-chloro-4-methylpentan-2-yl)-2-methoxybenzamide
CID 113272537
(3R)-3-[(2-methoxybenzoyl)amino]butanoic acid
CID 93262749
(2R)-4-methyl-2-[(2-propan-2-ylsulfanylbenzoyl)amino]pentanoic acid
CID 119363699
4-methyl-2-[(9-oxofluorene-4-carbonyl)amino]pentanoic acid
CID 4974681
3-(1H-indol-3-yl)-2-[(2-methoxybenzoyl)amino]propanoic acid
CID 6611948
(2R)-4-methyl-2-[(2-methylsulfonylbenzoyl)amino]pentanoic acid
CID 41119776
N-butan-2-yl-2-methoxybenzamide
CID 3117660
2-methoxy-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94867704

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-methoxybenzoyl)amino]-4-methylpentanoic acid?
The IUPAC name of (2S)-2-[(2-methoxybenzoyl)amino]-4-methylpentanoic acid (CID 42255886) is (2S)-2-[(2-methoxybenzoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[(2-methoxybenzoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-[(2-methoxybenzoyl)amino]-4-methylpentanoic acid is COc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)O.
What is the InChIKey of (2S)-2-[(2-methoxybenzoyl)amino]-4-methylpentanoic acid?
The InChIKey is CPSAVFUIKUGHHH-NSHDSACASA-N. The full InChI is InChI=1S/C14H19NO4/c1-9(2)8-11(14(17)18)15-13(16)10-6-4-5-7-12(10)19-3/h4-7,9,11H,8H2,1-3H3,(H,15,16)(H,17,18)/t11-/m0/s1.
What are the key properties of (2S)-2-[(2-methoxybenzoyl)amino]-4-methylpentanoic acid?
(2S)-2-[(2-methoxybenzoyl)amino]-4-methylpentanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-methoxybenzoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 42255886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).