4-[(2-hydroxybenzoyl)amino]butanoic acid

C11H13NO4 — CID 10307985

IUPAC4-[(2-hydroxybenzoyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)c1ccccc1O
InChIInChI=1S/C11H13NO4/c13-9-5-2-1-4-8(9)11(16)12-7-3-6-10(14)15/h1-2,4-5,13H,3,6-7H2,(H,12,16)(H,14,15)
InChIKeyBEBMULDZYYEWRH-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.99
Rot. Bonds5

About 4-[(2-hydroxybenzoyl)amino]butanoic acid

4-[(2-hydroxybenzoyl)amino]butanoic acid (PubChem CID 10307985) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 4-[(2-hydroxybenzoyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(2-hydroxybenzoyl)amino]butanoic acid
PubChem CID10307985
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name4-[(2-hydroxybenzoyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)c1ccccc1O
InChIInChI=1S/C11H13NO4/c13-9-5-2-1-4-8(9)11(16)12-7-3-6-10(14)15/h1-2,4-5,13H,3,6-7H2,(H,12,16)(H,14,15)
InChIKeyBEBMULDZYYEWRH-UHFFFAOYSA-N
XLogP0.99
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.99
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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Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxybenzoyl)amino]butanoic acid?
The IUPAC name of 4-[(2-hydroxybenzoyl)amino]butanoic acid (CID 10307985) is 4-[(2-hydroxybenzoyl)amino]butanoic acid.
What is the SMILES notation for 4-[(2-hydroxybenzoyl)amino]butanoic acid?
The canonical SMILES for 4-[(2-hydroxybenzoyl)amino]butanoic acid is O=C(O)CCCNC(=O)c1ccccc1O.
What is the InChIKey of 4-[(2-hydroxybenzoyl)amino]butanoic acid?
The InChIKey is BEBMULDZYYEWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c13-9-5-2-1-4-8(9)11(16)12-7-3-6-10(14)15/h1-2,4-5,13H,3,6-7H2,(H,12,16)(H,14,15).
What are the key properties of 4-[(2-hydroxybenzoyl)amino]butanoic acid?
4-[(2-hydroxybenzoyl)amino]butanoic acid has a molecular weight of 223.23 g/mol, XLogP of 0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxybenzoyl)amino]butanoic acid is sourced from PubChem (CID 10307985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).