6-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylheptanoic acid

C15H20FNO4 — CID 115298555

IUPAC6-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylheptanoic acid
SMILESCC(CCCC(C)C(=O)O)NC(=O)c1cc(F)ccc1O
InChIInChI=1S/C15H20FNO4/c1-9(15(20)21)4-3-5-10(2)17-14(19)12-8-11(16)6-7-13(12)18/h6-10,18H,3-5H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyJMKJIZFICZQMED-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.54
Rot. Bonds7

About 6-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylheptanoic acid

6-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylheptanoic acid (PubChem CID 115298555) has the molecular formula C15H20FNO4 and a molecular weight of 297.33 g/mol. Its IUPAC name is 6-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylheptanoic acid.

Molecular Properties

Compound Name6-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylheptanoic acid
PubChem CID115298555
Molecular FormulaC15H20FNO4
Molecular Weight297.33 g/mol
Exact Mass297.14
IUPAC Name6-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylheptanoic acid
SMILESCC(CCCC(C)C(=O)O)NC(=O)c1cc(F)ccc1O
InChIInChI=1S/C15H20FNO4/c1-9(15(20)21)4-3-5-10(2)17-14(19)12-8-11(16)6-7-13(12)18/h6-10,18H,3-5H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyJMKJIZFICZQMED-UHFFFAOYSA-N
XLogP2.54
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(2-bromo-4-fluorobenzoyl)amino]-2-methylheptanoic acid
CID 65285579
(2S)-2-[(5-fluoro-2-hydroxybenzoyl)amino]hexanoic acid
CID 107144035
4-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylbutanoic acid
CID 115298591
N-[4-(dimethylamino)butan-2-yl]-5-fluoro-2-hydroxybenzamide
CID 71975942
6-[(2-fluorobenzoyl)amino]-2-methylheptanoic acid
CID 65286202
6-[(4-chloro-2-hydroxybenzoyl)amino]-2-methylheptanoic acid
CID 65285765
N-(4-ethylsulfanylbutan-2-yl)-5-fluoro-2-hydroxybenzamide
CID 115681959
2-[(5-fluoro-2-hydroxybenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 115298397
(2S)-2-[(5-fluoro-2-hydroxybenzoyl)amino]-3-methylpentanoic acid
CID 113281512
4-fluoro-N-hexan-2-yl-2-hydroxybenzamide
CID 107015212
5-fluoro-2-hydroxy-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103852374
5-fluoro-2-hydroxy-N-(3-oxopentan-2-yl)benzamide
CID 115298768

Frequently Asked Questions

What is the IUPAC name of 6-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylheptanoic acid?
The IUPAC name of 6-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylheptanoic acid (CID 115298555) is 6-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylheptanoic acid.
What is the SMILES notation for 6-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylheptanoic acid?
The canonical SMILES for 6-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylheptanoic acid is CC(CCCC(C)C(=O)O)NC(=O)c1cc(F)ccc1O.
What is the InChIKey of 6-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylheptanoic acid?
The InChIKey is JMKJIZFICZQMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO4/c1-9(15(20)21)4-3-5-10(2)17-14(19)12-8-11(16)6-7-13(12)18/h6-10,18H,3-5H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 6-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylheptanoic acid?
6-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylheptanoic acid has a molecular weight of 297.33 g/mol, XLogP of 2.54, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylheptanoic acid is sourced from PubChem (CID 115298555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).