4-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbutanoic acid

C12H14FNO4 — CID 115298591

IUPAC4-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbutanoic acid
SMILESCC(CCNC(=O)c1cc(F)ccc1O)C(=O)O
InChIInChI=1S/C12H14FNO4/c1-7(12(17)18)4-5-14-11(16)9-6-8(13)2-3-10(9)15/h2-3,6-7,15H,4-5H2,1H3,(H,14,16)(H,17,18)
InChIKeyUJGWHFUAZPLKEI-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.37
Rot. Bonds5

About 4-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbutanoic acid

4-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbutanoic acid (PubChem CID 115298591) has the molecular formula C12H14FNO4 and a molecular weight of 255.24 g/mol. Its IUPAC name is 4-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name4-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbutanoic acid
PubChem CID115298591
Molecular FormulaC12H14FNO4
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Name4-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbutanoic acid
SMILESCC(CCNC(=O)c1cc(F)ccc1O)C(=O)O
InChIInChI=1S/C12H14FNO4/c1-7(12(17)18)4-5-14-11(16)9-6-8(13)2-3-10(9)15/h2-3,6-7,15H,4-5H2,1H3,(H,14,16)(H,17,18)
InChIKeyUJGWHFUAZPLKEI-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-fluoro-2-methylbenzoyl)amino]-2-methylbutanoic acid
CID 80538483
4-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylbutanoic acid
CID 107729441
6-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylheptanoic acid
CID 115298555
4-[(3,5-difluorobenzoyl)amino]-2-methylbutanoic acid
CID 80538601
5-fluoro-2-hydroxy-N-(2-hydroxyethyl)benzamide
CID 67742481
N-ethyl-5-fluoro-2-hydroxybenzamide
CID 79531934
2-methyl-4-[(2,4,5-trifluoro-3-hydroxybenzoyl)amino]butanoic acid
CID 80538589
5-fluoro-2-hydroxy-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 79881248
N-(4-chloro-2-methylbutyl)-5-fluoro-2-hydroxybenzamide
CID 115299603
5-fluoro-2-hydroxy-N-(4-hydroxybutyl)benzamide
CID 106843460
5-fluoro-2-hydroxy-N-(4-methoxybutyl)benzamide
CID 79523733
(2S)-2-[(5-fluoro-2-hydroxybenzoyl)amino]hexanoic acid
CID 107144035

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbutanoic acid?
The IUPAC name of 4-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbutanoic acid (CID 115298591) is 4-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 4-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 4-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbutanoic acid is CC(CCNC(=O)c1cc(F)ccc1O)C(=O)O.
What is the InChIKey of 4-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbutanoic acid?
The InChIKey is UJGWHFUAZPLKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO4/c1-7(12(17)18)4-5-14-11(16)9-6-8(13)2-3-10(9)15/h2-3,6-7,15H,4-5H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 4-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbutanoic acid?
4-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbutanoic acid has a molecular weight of 255.24 g/mol, XLogP of 1.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 115298591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).