2-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylpentanoic acid

C13H16FNO4 — CID 115298445

IUPAC2-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)c1cc(F)ccc1O)C(=O)O
InChIInChI=1S/C13H16FNO4/c1-3-6-13(2,12(18)19)15-11(17)9-7-8(14)4-5-10(9)16/h4-5,7,16H,3,6H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyLQTNHUBEHSQOGD-UHFFFAOYSA-N
MW269.27 g/mol
LogP1.90
Rot. Bonds5

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

2-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylpentanoic acid (PubChem CID 115298445) has the molecular formula C13H16FNO4 and a molecular weight of 269.27 g/mol. Its IUPAC name is 2-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylpentanoic acid
PubChem CID115298445
Molecular FormulaC13H16FNO4
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name2-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)c1cc(F)ccc1O)C(=O)O
InChIInChI=1S/C13H16FNO4/c1-3-6-13(2,12(18)19)15-11(17)9-7-8(14)4-5-10(9)16/h4-5,7,16H,3,6H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyLQTNHUBEHSQOGD-UHFFFAOYSA-N
XLogP1.90
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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-4-methylbenzoyl)amino]-2-methylpentanoic acid
CID 43618664
2-[(2,5-difluorobenzoyl)amino]-2-methylbutanoic acid
CID 79793272
3-[(5-fluoro-2-hydroxybenzoyl)amino]-3-methylbutanoic acid
CID 115298547
2-methyl-2-[(2,3,4-trifluorobenzoyl)amino]pentanoic acid
CID 79749694
N-ethyl-5-fluoro-2-hydroxybenzamide
CID 79531934
2-[(2-fluoropyridine-3-carbonyl)amino]-2-methylpentanoic acid
CID 114037475
2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoic acid
CID 43618517
methyl 2-[(4-fluoro-2-methylbenzoyl)amino]-2-methylpentanoate
CID 115745717
2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]-2-methylpentanoic acid
CID 65055942
2-[(3,5-dihydroxybenzoyl)amino]-2-methylpentanoic acid
CID 107702413
2-[(4-fluorophenyl)carbamoylamino]-2-methylpentanoic acid
CID 43619154
2-[(4-fluoro-3-methylbenzoyl)amino]-2-methylpentanoic acid
CID 55163046

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylpentanoic acid?
The IUPAC name of 2-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylpentanoic acid (CID 115298445) is 2-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylpentanoic acid is CCCC(C)(NC(=O)c1cc(F)ccc1O)C(=O)O.
What is the InChIKey of 2-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylpentanoic acid?
The InChIKey is LQTNHUBEHSQOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO4/c1-3-6-13(2,12(18)19)15-11(17)9-7-8(14)4-5-10(9)16/h4-5,7,16H,3,6H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylpentanoic acid?
2-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylpentanoic acid has a molecular weight of 269.27 g/mol, XLogP of 1.90, 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-hydroxybenzoyl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 115298445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).