2-[(5-fluoro-2-methylbenzoyl)amino]-3-hydroxypropanoic acid

C11H12FNO4 — CID 63047722

IUPAC2-[(5-fluoro-2-methylbenzoyl)amino]-3-hydroxypropanoic acid
SMILESCc1ccc(F)cc1C(=O)NC(CO)C(=O)O
InChIInChI=1S/C11H12FNO4/c1-6-2-3-7(12)4-8(6)10(15)13-9(5-14)11(16)17/h2-4,9,14H,5H2,1H3,(H,13,15)(H,16,17)
InChIKeyKPGBUCMGTWJOHP-UHFFFAOYSA-N
MW241.22 g/mol
LogP0.31
Rot. Bonds4

About 2-[(5-fluoro-2-methylbenzoyl)amino]-3-hydroxypropanoic acid

2-[(5-fluoro-2-methylbenzoyl)amino]-3-hydroxypropanoic acid (PubChem CID 63047722) has the molecular formula C11H12FNO4 and a molecular weight of 241.22 g/mol. Its IUPAC name is 2-[(5-fluoro-2-methylbenzoyl)amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[(5-fluoro-2-methylbenzoyl)amino]-3-hydroxypropanoic acid
PubChem CID63047722
Molecular FormulaC11H12FNO4
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name2-[(5-fluoro-2-methylbenzoyl)amino]-3-hydroxypropanoic acid
SMILESCc1ccc(F)cc1C(=O)NC(CO)C(=O)O
InChIInChI=1S/C11H12FNO4/c1-6-2-3-7(12)4-8(6)10(15)13-9(5-14)11(16)17/h2-4,9,14H,5H2,1H3,(H,13,15)(H,16,17)
InChIKeyKPGBUCMGTWJOHP-UHFFFAOYSA-N
XLogP0.31
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-fluoro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid
CID 63048236
(2R)-4-amino-2-[(5-fluoro-2-methylbenzoyl)amino]-4-oxobutanoic acid
CID 94994061
2-[(5-fluoro-2-methylbenzoyl)amino]-4-methylsulfonylbutanoic acid
CID 63048065
5-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzamide
CID 79252704
3-hydroxy-2-[(2-methyl-5-nitrobenzoyl)amino]propanoic acid
CID 61289814
5-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylbenzamide
CID 107861282
(2S)-2-[(5-fluoro-2-methylbenzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 63049630
5-fluoro-N-[(2S)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-2-methylbenzamide
CID 129358679
(2S,3S)-2-[(5-fluoro-2-methylbenzoyl)amino]-3-methylpentanoic acid
CID 63050156
2-[[5-(2,4-difluorophenyl)-2-hydroxy-3-methylbenzoyl]amino]-3-hydroxypropanoic acid;ethane
CID 143027452
4-[(5-fluoro-2-methylbenzoyl)amino]-2-methylbutanoic acid
CID 80538483
(4S)-4-[(5-fluoro-2-methylbenzoyl)amino]pentanoic acid
CID 95359084

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-methylbenzoyl)amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[(5-fluoro-2-methylbenzoyl)amino]-3-hydroxypropanoic acid (CID 63047722) is 2-[(5-fluoro-2-methylbenzoyl)amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[(5-fluoro-2-methylbenzoyl)amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[(5-fluoro-2-methylbenzoyl)amino]-3-hydroxypropanoic acid is Cc1ccc(F)cc1C(=O)NC(CO)C(=O)O.
What is the InChIKey of 2-[(5-fluoro-2-methylbenzoyl)amino]-3-hydroxypropanoic acid?
The InChIKey is KPGBUCMGTWJOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO4/c1-6-2-3-7(12)4-8(6)10(15)13-9(5-14)11(16)17/h2-4,9,14H,5H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 2-[(5-fluoro-2-methylbenzoyl)amino]-3-hydroxypropanoic acid?
2-[(5-fluoro-2-methylbenzoyl)amino]-3-hydroxypropanoic acid has a molecular weight of 241.22 g/mol, XLogP of 0.31, 4 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]-3-hydroxypropanoic acid is sourced from PubChem (CID 63047722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).