(2R)-2-[(2-fluoro-4-methoxybenzoyl)amino]-4-methylpentanoic acid

C14H18FNO4 — CID 103804241

IUPAC(2R)-2-[(2-fluoro-4-methoxybenzoyl)amino]-4-methylpentanoic acid
SMILESCOc1ccc(C(=O)N[C@H](CC(C)C)C(=O)O)c(F)c1
InChIInChI=1S/C14H18FNO4/c1-8(2)6-12(14(18)19)16-13(17)10-5-4-9(20-3)7-11(10)15/h4-5,7-8,12H,6H2,1-3H3,(H,16,17)(H,18,19)/t12-/m1/s1
InChIKeyQFDQWCLSHMKNML-GFCCVEGCSA-N
MW283.30 g/mol
LogP2.06
Rot. Bonds6

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

(2R)-2-[(2-fluoro-4-methoxybenzoyl)amino]-4-methylpentanoic acid (PubChem CID 103804241) has the molecular formula C14H18FNO4 and a molecular weight of 283.30 g/mol. Its IUPAC name is (2R)-2-[(2-fluoro-4-methoxybenzoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-fluoro-4-methoxybenzoyl)amino]-4-methylpentanoic acid
PubChem CID103804241
Molecular FormulaC14H18FNO4
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Name(2R)-2-[(2-fluoro-4-methoxybenzoyl)amino]-4-methylpentanoic acid
SMILESCOc1ccc(C(=O)N[C@H](CC(C)C)C(=O)O)c(F)c1
InChIInChI=1S/C14H18FNO4/c1-8(2)6-12(14(18)19)16-13(17)10-5-4-9(20-3)7-11(10)15/h4-5,7-8,12H,6H2,1-3H3,(H,16,17)(H,18,19)/t12-/m1/s1
InChIKeyQFDQWCLSHMKNML-GFCCVEGCSA-N
XLogP2.06
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[(2-fluoro-4-methoxybenzoyl)amino]-4-methylpentanoic 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

(2S)-2-[(2-amino-5-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 115412933
(2R)-2-[(2-fluoro-4-methoxybenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 102882019
N-(3,3-dimethylbutan-2-yl)-2-fluoro-4-methoxybenzamide
CID 103659243
3-[(2-fluoro-4-methoxybenzoyl)amino]-4,4-dimethylpentanoic acid
CID 102882007
2-[(4-bromo-2-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 115368583
2-fluoro-N-(1-hydroxybutan-2-yl)-4-methoxybenzamide
CID 103604548
N-(1-chloro-4-methylpentan-3-yl)-2-fluoro-4-methoxybenzamide
CID 114177723
(2S)-2-[(2-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 42255886
(2R)-2-[(4,5-difluoro-2-iodobenzoyl)amino]-4-methylpentanoic acid
CID 119364479
(2R)-2-[[2-(difluoromethoxy)-4-fluorobenzoyl]amino]-4-methylpentanoic acid
CID 119364700
2-[(2,4-dimethoxybenzoyl)amino]butanoic acid
CID 43387212
N-(2-bromopropyl)-2-fluoro-4-methoxybenzamide
CID 102885225

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-fluoro-4-methoxybenzoyl)amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[(2-fluoro-4-methoxybenzoyl)amino]-4-methylpentanoic acid (CID 103804241) is (2R)-2-[(2-fluoro-4-methoxybenzoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[(2-fluoro-4-methoxybenzoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[(2-fluoro-4-methoxybenzoyl)amino]-4-methylpentanoic acid is COc1ccc(C(=O)N[C@H](CC(C)C)C(=O)O)c(F)c1.
What is the InChIKey of (2R)-2-[(2-fluoro-4-methoxybenzoyl)amino]-4-methylpentanoic acid?
The InChIKey is QFDQWCLSHMKNML-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18FNO4/c1-8(2)6-12(14(18)19)16-13(17)10-5-4-9(20-3)7-11(10)15/h4-5,7-8,12H,6H2,1-3H3,(H,16,17)(H,18,19)/t12-/m1/s1.
What are the key properties of (2R)-2-[(2-fluoro-4-methoxybenzoyl)amino]-4-methylpentanoic acid?
(2R)-2-[(2-fluoro-4-methoxybenzoyl)amino]-4-methylpentanoic acid has a molecular weight of 283.30 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-fluoro-4-methoxybenzoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 103804241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).