2-[(2-fluoro-6-methoxybenzoyl)amino]-3-hydroxybutanoic acid

C12H14FNO5 — CID 65432052

IUPAC2-[(2-fluoro-6-methoxybenzoyl)amino]-3-hydroxybutanoic acid
SMILESCOc1cccc(F)c1C(=O)NC(C(=O)O)C(C)O
InChIInChI=1S/C12H14FNO5/c1-6(15)10(12(17)18)14-11(16)9-7(13)4-3-5-8(9)19-2/h3-6,10,15H,1-2H3,(H,14,16)(H,17,18)
InChIKeyFPYKUHGCFIVAHJ-UHFFFAOYSA-N
MW271.24 g/mol
LogP0.40
Rot. Bonds5

About 2-[(2-fluoro-6-methoxybenzoyl)amino]-3-hydroxybutanoic acid

2-[(2-fluoro-6-methoxybenzoyl)amino]-3-hydroxybutanoic acid (PubChem CID 65432052) has the molecular formula C12H14FNO5 and a molecular weight of 271.24 g/mol. Its IUPAC name is 2-[(2-fluoro-6-methoxybenzoyl)amino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(2-fluoro-6-methoxybenzoyl)amino]-3-hydroxybutanoic acid
PubChem CID65432052
Molecular FormulaC12H14FNO5
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name2-[(2-fluoro-6-methoxybenzoyl)amino]-3-hydroxybutanoic acid
SMILESCOc1cccc(F)c1C(=O)NC(C(=O)O)C(C)O
InChIInChI=1S/C12H14FNO5/c1-6(15)10(12(17)18)14-11(16)9-7(13)4-3-5-8(9)19-2/h3-6,10,15H,1-2H3,(H,14,16)(H,17,18)
InChIKeyFPYKUHGCFIVAHJ-UHFFFAOYSA-N
XLogP0.40
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(2-fluoro-6-methoxybenzoyl)amino]-3-hydroxybutanoic 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)-2-[(2-fluoro-6-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 79010897
3-hydroxy-2-[(2-hydroxy-3-methoxybenzoyl)amino]butanoic acid
CID 24697724
N-but-3-yn-2-yl-2-fluoro-6-methoxybenzamide
CID 114389675
N-(1-aminopropan-2-yl)-2-fluoro-6-methoxybenzamide
CID 65434046
(2S,3R)-2-[(2,6-difluoro-3-methylbenzoyl)amino]-3-hydroxybutanoic acid
CID 104965038
2-[(2,6-difluorophenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 61195936
2-[(2-chloro-3-fluorobenzoyl)amino]-3-hydroxybutanoic acid
CID 81453778
(2S,3R)-2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 104965870
(2R)-5-amino-2-[(2-fluoro-6-methoxybenzoyl)amino]-5-oxopentanoic acid
CID 107829710
2-amino-1-(2-fluoro-6-methoxyphenyl)propan-1-one
CID 83808441
5-[(2-fluoro-6-methoxybenzoyl)amino]-2-methylpentanoic acid
CID 104681666
N-(2-amino-1-phenylethyl)-2-fluoro-6-methoxybenzamide
CID 65432150

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-6-methoxybenzoyl)amino]-3-hydroxybutanoic acid?
The IUPAC name of 2-[(2-fluoro-6-methoxybenzoyl)amino]-3-hydroxybutanoic acid (CID 65432052) is 2-[(2-fluoro-6-methoxybenzoyl)amino]-3-hydroxybutanoic acid.
What is the SMILES notation for 2-[(2-fluoro-6-methoxybenzoyl)amino]-3-hydroxybutanoic acid?
The canonical SMILES for 2-[(2-fluoro-6-methoxybenzoyl)amino]-3-hydroxybutanoic acid is COc1cccc(F)c1C(=O)NC(C(=O)O)C(C)O.
What is the InChIKey of 2-[(2-fluoro-6-methoxybenzoyl)amino]-3-hydroxybutanoic acid?
The InChIKey is FPYKUHGCFIVAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO5/c1-6(15)10(12(17)18)14-11(16)9-7(13)4-3-5-8(9)19-2/h3-6,10,15H,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 2-[(2-fluoro-6-methoxybenzoyl)amino]-3-hydroxybutanoic acid?
2-[(2-fluoro-6-methoxybenzoyl)amino]-3-hydroxybutanoic acid has a molecular weight of 271.24 g/mol, XLogP of 0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-6-methoxybenzoyl)amino]-3-hydroxybutanoic acid is sourced from PubChem (CID 65432052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).