2-[(5-fluoro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid

C12H14FNO4 — CID 63048236

IUPAC2-[(5-fluoro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid
SMILESCc1ccc(F)cc1C(=O)NC(CCO)C(=O)O
InChIInChI=1S/C12H14FNO4/c1-7-2-3-8(13)6-9(7)11(16)14-10(4-5-15)12(17)18/h2-3,6,10,15H,4-5H2,1H3,(H,14,16)(H,17,18)
InChIKeyFMCMEIOZYKILLM-UHFFFAOYSA-N
MW255.24 g/mol
LogP0.70
Rot. Bonds5

About 2-[(5-fluoro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid

2-[(5-fluoro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid (PubChem CID 63048236) has the molecular formula C12H14FNO4 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2-[(5-fluoro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(5-fluoro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid
PubChem CID63048236
Molecular FormulaC12H14FNO4
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Name2-[(5-fluoro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid
SMILESCc1ccc(F)cc1C(=O)NC(CCO)C(=O)O
InChIInChI=1S/C12H14FNO4/c1-7-2-3-8(13)6-9(7)11(16)14-10(4-5-15)12(17)18/h2-3,6,10,15H,4-5H2,1H3,(H,14,16)(H,17,18)
InChIKeyFMCMEIOZYKILLM-UHFFFAOYSA-N
XLogP0.70
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-fluoro-2-methylbenzoyl)amino]-3-hydroxypropanoic acid
CID 63047722
(2R)-2-[(5-chloro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid
CID 107822930
2-[(5-fluoro-2-methylbenzoyl)amino]-4-methylsulfonylbutanoic acid
CID 63048065
(2S)-2-[(2-bromo-5-fluorobenzoyl)amino]-4-hydroxybutanoic acid
CID 107821847
2-[(2-amino-5-fluorobenzoyl)amino]-4-hydroxybutanoic acid
CID 61244237
(2R)-4-amino-2-[(5-fluoro-2-methylbenzoyl)amino]-4-oxobutanoic acid
CID 94994061
(2R)-2-[(2-chloro-4-fluorobenzoyl)amino]-4-hydroxybutanoic acid
CID 114005057
4-[(5-fluoro-2-methylbenzoyl)amino]-2-methylbutanoic acid
CID 80538483
(4S)-4-[(5-fluoro-2-methylbenzoyl)amino]pentanoic acid
CID 95359084
(2S)-4-hydroxy-2-[(4-hydroxy-2-methylbenzoyl)amino]butanoic acid
CID 114004847
2-[(3,4-dimethylbenzoyl)amino]-4-hydroxybutanoic acid
CID 61243816
N-(1-amino-1-hydroxyiminobutan-2-yl)-5-fluoro-2-methylbenzamide
CID 76986011

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid?
The IUPAC name of 2-[(5-fluoro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid (CID 63048236) is 2-[(5-fluoro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid.
What is the SMILES notation for 2-[(5-fluoro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid?
The canonical SMILES for 2-[(5-fluoro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid is Cc1ccc(F)cc1C(=O)NC(CCO)C(=O)O.
What is the InChIKey of 2-[(5-fluoro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid?
The InChIKey is FMCMEIOZYKILLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO4/c1-7-2-3-8(13)6-9(7)11(16)14-10(4-5-15)12(17)18/h2-3,6,10,15H,4-5H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-[(5-fluoro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid?
2-[(5-fluoro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid has a molecular weight of 255.24 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 63048236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).