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

C13H17NO4 — CID 104681612

IUPAC5-[(2-hydroxybenzoyl)amino]-2-methylpentanoic acid
SMILESCC(CCCNC(=O)c1ccccc1O)C(=O)O
InChIInChI=1S/C13H17NO4/c1-9(13(17)18)5-4-8-14-12(16)10-6-2-3-7-11(10)15/h2-3,6-7,9,15H,4-5,8H2,1H3,(H,14,16)(H,17,18)
InChIKeyFOZXZQMIXIBNPF-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.62
Rot. Bonds6

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

5-[(2-hydroxybenzoyl)amino]-2-methylpentanoic acid (PubChem CID 104681612) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 5-[(2-hydroxybenzoyl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name5-[(2-hydroxybenzoyl)amino]-2-methylpentanoic acid
PubChem CID104681612
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name5-[(2-hydroxybenzoyl)amino]-2-methylpentanoic acid
SMILESCC(CCCNC(=O)c1ccccc1O)C(=O)O
InChIInChI=1S/C13H17NO4/c1-9(13(17)18)5-4-8-14-12(16)10-6-2-3-7-11(10)15/h2-3,6-7,9,15H,4-5,8H2,1H3,(H,14,16)(H,17,18)
InChIKeyFOZXZQMIXIBNPF-UHFFFAOYSA-N
XLogP1.62
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-[(2-methylbenzoyl)amino]pentanoic acid
CID 104681725
2-methyl-5-[(2-methylpyridine-3-carbonyl)amino]pentanoic acid
CID 113440647
5-[(4-hydroxy-2-methylbenzoyl)amino]-2-methylpentanoic acid
CID 107670917
4-[(2-iodobenzoyl)amino]-2-methylbutanoic acid
CID 80538349
5-[(2,5-dimethylfuran-3-carbonyl)amino]-2-methylpentanoic acid
CID 104682762
5-[(5-chloro-2-methylbenzoyl)amino]-2-methylpentanoic acid
CID 104681937
2-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62657877
2-hydroxy-N-(4-sulfanylhexadecyl)benzamide
CID 88819148
2-methyl-5-(phenylcarbamoylamino)pentanoic acid
CID 113440698
2-methyl-5-[(4-methylthiophene-3-carbonyl)amino]pentanoic acid
CID 104682724
N-[3-[bis(2-methylpropyl)amino]propyl]-2-hydroxybenzamide
CID 59345613
5-[(4-chloro-2-fluorobenzoyl)amino]-2-methylpentanoic acid
CID 104682759

Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxybenzoyl)amino]-2-methylpentanoic acid?
The IUPAC name of 5-[(2-hydroxybenzoyl)amino]-2-methylpentanoic acid (CID 104681612) is 5-[(2-hydroxybenzoyl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 5-[(2-hydroxybenzoyl)amino]-2-methylpentanoic acid?
The canonical SMILES for 5-[(2-hydroxybenzoyl)amino]-2-methylpentanoic acid is CC(CCCNC(=O)c1ccccc1O)C(=O)O.
What is the InChIKey of 5-[(2-hydroxybenzoyl)amino]-2-methylpentanoic acid?
The InChIKey is FOZXZQMIXIBNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-9(13(17)18)5-4-8-14-12(16)10-6-2-3-7-11(10)15/h2-3,6-7,9,15H,4-5,8H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 5-[(2-hydroxybenzoyl)amino]-2-methylpentanoic acid?
5-[(2-hydroxybenzoyl)amino]-2-methylpentanoic acid has a molecular weight of 251.28 g/mol, XLogP of 1.62, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxybenzoyl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 104681612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).