(2S)-2-[(5-fluoro-2-hydroxybenzoyl)amino]hexanoic acid

C13H16FNO4 — CID 107144035

IUPAC(2S)-2-[(5-fluoro-2-hydroxybenzoyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)c1cc(F)ccc1O)C(=O)O
InChIInChI=1S/C13H16FNO4/c1-2-3-4-10(13(18)19)15-12(17)9-7-8(14)5-6-11(9)16/h5-7,10,16H,2-4H2,1H3,(H,15,17)(H,18,19)/t10-/m0/s1
InChIKeyXQBKEKCUHQPYRU-JTQLQIEISA-N
MW269.27 g/mol
LogP1.90
Rot. Bonds6

About (2S)-2-[(5-fluoro-2-hydroxybenzoyl)amino]hexanoic acid

(2S)-2-[(5-fluoro-2-hydroxybenzoyl)amino]hexanoic acid (PubChem CID 107144035) has the molecular formula C13H16FNO4 and a molecular weight of 269.27 g/mol. Its IUPAC name is (2S)-2-[(5-fluoro-2-hydroxybenzoyl)amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[(5-fluoro-2-hydroxybenzoyl)amino]hexanoic acid
PubChem CID107144035
Molecular FormulaC13H16FNO4
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name(2S)-2-[(5-fluoro-2-hydroxybenzoyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)c1cc(F)ccc1O)C(=O)O
InChIInChI=1S/C13H16FNO4/c1-2-3-4-10(13(18)19)15-12(17)9-7-8(14)5-6-11(9)16/h5-7,10,16H,2-4H2,1H3,(H,15,17)(H,18,19)/t10-/m0/s1
InChIKeyXQBKEKCUHQPYRU-JTQLQIEISA-N
XLogP1.90
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-hydroxy-5-methylbenzoyl)amino]hexanoic acid
CID 43469944
2-[(5-bromo-2-hydroxybenzoyl)amino]hexanoic acid
CID 107729294
2-[(5-fluoro-2-hydroxybenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 115298397
6-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylheptanoic acid
CID 115298555
(2S)-2-[(2,4-difluorobenzoyl)amino]pentanoic acid
CID 107564266
(2R)-2-[(2-hydroxy-5-methylbenzoyl)amino]pentanoic acid
CID 107563235
(2S)-2-[(2,4,5-trifluoro-3-hydroxybenzoyl)amino]hexanoic acid
CID 107144807
(2S)-2-[(2-fluoro-5-methylbenzoyl)amino]hexanoic acid
CID 107144143
2-[(3-hydroxy-2-methylbenzoyl)amino]hexanoic acid
CID 82826318
(2R)-2-[(5-bromo-2-hydroxybenzoyl)amino]pentanoic acid
CID 107729511
(2S)-2-[4-[(2,4-difluorobenzoyl)amino]butanoylamino]hexanoic acid
CID 120615201
(2S)-2-[(2-chloro-5-hydroxybenzoyl)amino]hexanoic acid
CID 107144107

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-fluoro-2-hydroxybenzoyl)amino]hexanoic acid?
The IUPAC name of (2S)-2-[(5-fluoro-2-hydroxybenzoyl)amino]hexanoic acid (CID 107144035) is (2S)-2-[(5-fluoro-2-hydroxybenzoyl)amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[(5-fluoro-2-hydroxybenzoyl)amino]hexanoic acid?
The canonical SMILES for (2S)-2-[(5-fluoro-2-hydroxybenzoyl)amino]hexanoic acid is CCCC[C@H](NC(=O)c1cc(F)ccc1O)C(=O)O.
What is the InChIKey of (2S)-2-[(5-fluoro-2-hydroxybenzoyl)amino]hexanoic acid?
The InChIKey is XQBKEKCUHQPYRU-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16FNO4/c1-2-3-4-10(13(18)19)15-12(17)9-7-8(14)5-6-11(9)16/h5-7,10,16H,2-4H2,1H3,(H,15,17)(H,18,19)/t10-/m0/s1.
What are the key properties of (2S)-2-[(5-fluoro-2-hydroxybenzoyl)amino]hexanoic acid?
(2S)-2-[(5-fluoro-2-hydroxybenzoyl)amino]hexanoic acid has a molecular weight of 269.27 g/mol, XLogP of 1.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-fluoro-2-hydroxybenzoyl)amino]hexanoic acid is sourced from PubChem (CID 107144035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).