3-[(1-hydroxynaphthalene-2-carbonyl)-methylamino]propanoic acid

C15H15NO4 — CID 60988949

IUPAC3-[(1-hydroxynaphthalene-2-carbonyl)-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)c1ccc2ccccc2c1O
InChIInChI=1S/C15H15NO4/c1-16(9-8-13(17)18)15(20)12-7-6-10-4-2-3-5-11(10)14(12)19/h2-7,19H,8-9H2,1H3,(H,17,18)
InChIKeyBKTWZGGJEATQGN-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.09
Rot. Bonds4

About 3-[(1-hydroxynaphthalene-2-carbonyl)-methylamino]propanoic acid

3-[(1-hydroxynaphthalene-2-carbonyl)-methylamino]propanoic acid (PubChem CID 60988949) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-[(1-hydroxynaphthalene-2-carbonyl)-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[(1-hydroxynaphthalene-2-carbonyl)-methylamino]propanoic acid
PubChem CID60988949
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name3-[(1-hydroxynaphthalene-2-carbonyl)-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)c1ccc2ccccc2c1O
InChIInChI=1S/C15H15NO4/c1-16(9-8-13(17)18)15(20)12-7-6-10-4-2-3-5-11(10)14(12)19/h2-7,19H,8-9H2,1H3,(H,17,18)
InChIKeyBKTWZGGJEATQGN-UHFFFAOYSA-N
XLogP2.09
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(1-hydroxynaphthalene-2-carbonyl)-methylamino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(furan-2-ylmethyl)-1-hydroxy-N-methylnaphthalene-2-carboxamide
CID 43396704
3-[(2,4-dihydroxybenzoyl)-methylamino]propanoic acid
CID 60989735
N-(3-aminopropyl)-N-ethyl-1-hydroxynaphthalene-2-carboxamide
CID 43319188
3-[methyl-(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 60989846
1-hydroxy-N-(2-hydroxyethyl)-N-propylnaphthalene-2-carboxamide
CID 60747623
1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium
CID 174557605
1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium;trichloride
CID 174494917
N-[2-(dimethylamino)ethyl]-N-methylnaphthalene-1-carboxamide
CID 110483893
2-[(1-hydroxynaphthalene-2-carbonyl)amino]oxyacetic acid
CID 63914035
N-but-2-ynyl-1-hydroxynaphthalene-2-carboxamide
CID 113342440
calcium bis(1-hydroxynaphthalene-2-carboxylate)
CID 139716025
3-[methyl(2-naphthalen-2-ylpropanoyl)amino]propanoic acid
CID 119362623

Frequently Asked Questions

What is the IUPAC name of 3-[(1-hydroxynaphthalene-2-carbonyl)-methylamino]propanoic acid?
The IUPAC name of 3-[(1-hydroxynaphthalene-2-carbonyl)-methylamino]propanoic acid (CID 60988949) is 3-[(1-hydroxynaphthalene-2-carbonyl)-methylamino]propanoic acid.
What is the SMILES notation for 3-[(1-hydroxynaphthalene-2-carbonyl)-methylamino]propanoic acid?
The canonical SMILES for 3-[(1-hydroxynaphthalene-2-carbonyl)-methylamino]propanoic acid is CN(CCC(=O)O)C(=O)c1ccc2ccccc2c1O.
What is the InChIKey of 3-[(1-hydroxynaphthalene-2-carbonyl)-methylamino]propanoic acid?
The InChIKey is BKTWZGGJEATQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-16(9-8-13(17)18)15(20)12-7-6-10-4-2-3-5-11(10)14(12)19/h2-7,19H,8-9H2,1H3,(H,17,18).
What are the key properties of 3-[(1-hydroxynaphthalene-2-carbonyl)-methylamino]propanoic acid?
3-[(1-hydroxynaphthalene-2-carbonyl)-methylamino]propanoic acid has a molecular weight of 273.29 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-hydroxynaphthalene-2-carbonyl)-methylamino]propanoic acid is sourced from PubChem (CID 60988949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).