2-[(1-hydroxynaphthalene-2-carbonyl)amino]butanoic acid

C15H15NO4 — CID 43469598

IUPAC2-[(1-hydroxynaphthalene-2-carbonyl)amino]butanoic acid
SMILESCCC(NC(=O)c1ccc2ccccc2c1O)C(=O)O
InChIInChI=1S/C15H15NO4/c1-2-12(15(19)20)16-14(18)11-8-7-9-5-3-4-6-10(9)13(11)17/h3-8,12,17H,2H2,1H3,(H,16,18)(H,19,20)
InChIKeyOYVJHSQEUVOCDD-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.14
Rot. Bonds4

About 2-[(1-hydroxynaphthalene-2-carbonyl)amino]butanoic acid

2-[(1-hydroxynaphthalene-2-carbonyl)amino]butanoic acid (PubChem CID 43469598) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[(1-hydroxynaphthalene-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(1-hydroxynaphthalene-2-carbonyl)amino]butanoic acid
PubChem CID43469598
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name2-[(1-hydroxynaphthalene-2-carbonyl)amino]butanoic acid
SMILESCCC(NC(=O)c1ccc2ccccc2c1O)C(=O)O
InChIInChI=1S/C15H15NO4/c1-2-12(15(19)20)16-14(18)11-8-7-9-5-3-4-6-10(9)13(11)17/h3-8,12,17H,2H2,1H3,(H,16,18)(H,19,20)
InChIKeyOYVJHSQEUVOCDD-UHFFFAOYSA-N
XLogP2.14
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-bromo-3-methylbutan-2-yl)-1-hydroxynaphthalene-2-carboxamide
CID 114315986
N-hex-1-yn-3-yl-1-hydroxynaphthalene-2-carboxamide
CID 106228601
2-[(2-oxochromene-3-carbonyl)amino]butanoic acid
CID 43469616
2-[[2,3-dimethyl-4-[(2-methylphenyl)methoxy]benzoyl]amino]butanoic acid
CID 67659772
3-methoxy-2-(naphthalene-1-carbonylamino)propanoic acid
CID 70817249
2-[[2-(difluoromethylsulfanyl)benzoyl]amino]butanoic acid
CID 43387400
2-(naphthalen-1-ylamino)butanoic acid
CID 64667732
1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium
CID 174557605
N-[2-(ethylamino)ethyl]-1-hydroxynaphthalene-2-carboxamide
CID 62656875
2-[(2-propylsulfonylbenzoyl)amino]butanoic acid
CID 119224038
2-[(1-hydroxynaphthalene-2-carbonyl)amino]-2,3-dimethylbutanoic acid
CID 150097816
2-[[2-[2-(methylamino)ethyl]benzoyl]amino]butanoic acid
CID 104547663

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxynaphthalene-2-carbonyl)amino]butanoic acid?
The IUPAC name of 2-[(1-hydroxynaphthalene-2-carbonyl)amino]butanoic acid (CID 43469598) is 2-[(1-hydroxynaphthalene-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-[(1-hydroxynaphthalene-2-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-[(1-hydroxynaphthalene-2-carbonyl)amino]butanoic acid is CCC(NC(=O)c1ccc2ccccc2c1O)C(=O)O.
What is the InChIKey of 2-[(1-hydroxynaphthalene-2-carbonyl)amino]butanoic acid?
The InChIKey is OYVJHSQEUVOCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-2-12(15(19)20)16-14(18)11-8-7-9-5-3-4-6-10(9)13(11)17/h3-8,12,17H,2H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-[(1-hydroxynaphthalene-2-carbonyl)amino]butanoic acid?
2-[(1-hydroxynaphthalene-2-carbonyl)amino]butanoic acid has a molecular weight of 273.29 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxynaphthalene-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 43469598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).