8-(2,3-dihydroxypropylcarbamoyl)naphthalene-1-carboxylic acid

C15H15NO5 — CID 66178018

IUPAC8-(2,3-dihydroxypropylcarbamoyl)naphthalene-1-carboxylic acid
SMILESO=C(O)c1cccc2cccc(C(=O)NCC(O)CO)c12
InChIInChI=1S/C15H15NO5/c17-8-10(18)7-16-14(19)11-5-1-3-9-4-2-6-12(13(9)11)15(20)21/h1-6,10,17-18H,7-8H2,(H,16,19)(H,20,21)
InChIKeyRWZSIVFKXJPBFB-UHFFFAOYSA-N
MW289.29 g/mol
LogP0.62
Rot. Bonds5

About 8-(2,3-dihydroxypropylcarbamoyl)naphthalene-1-carboxylic acid

8-(2,3-dihydroxypropylcarbamoyl)naphthalene-1-carboxylic acid (PubChem CID 66178018) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is 8-(2,3-dihydroxypropylcarbamoyl)naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name8-(2,3-dihydroxypropylcarbamoyl)naphthalene-1-carboxylic acid
PubChem CID66178018
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name8-(2,3-dihydroxypropylcarbamoyl)naphthalene-1-carboxylic acid
SMILESO=C(O)c1cccc2cccc(C(=O)NCC(O)CO)c12
InChIInChI=1S/C15H15NO5/c17-8-10(18)7-16-14(19)11-5-1-3-9-4-2-6-12(13(9)11)15(20)21/h1-6,10,17-18H,7-8H2,(H,16,19)(H,20,21)
InChIKeyRWZSIVFKXJPBFB-UHFFFAOYSA-N
XLogP0.62
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 8-(2,3-dihydroxypropylcarbamoyl)naphthalene-1-carboxylic 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-(2,3-dihydroxypropyl)-2,3-dihydroxybenzamide
CID 114344939
8-(3-methylbutylcarbamoyl)naphthalene-1-carboxylic acid
CID 43396392
benzene;naphthalene-1,8-dicarboxylic acid
CID 174823001
8-[[(2R)-1-hydroxybutan-2-yl]carbamoyl]naphthalene-1-carboxylic acid
CID 107214770
naphthalene-1,8-dicarboxylic acid;silver
CID 91865760
8-(2-sulfoethylcarbamoyl)naphthalene-1-carboxylic acid
CID 87260631
8-(pentylcarbamoyl)naphthalene-1-carboxylic acid
CID 4638443
sodium;hydride;naphthalene-1,8-dicarboxylic acid
CID 175149963
N-(2,3-dihydroxypropyl)-2-(trifluoromethyl)benzamide
CID 66175998
8-(methoxycarbamoyl)naphthalene-1-carboxylic acid
CID 64974107
2-[(2-hydroxy-4-methylpentyl)carbamoyl]benzoic acid
CID 107151224
2-[(3-hydroxy-2-methylpropyl)carbamoyl]benzoic acid
CID 65034048

Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dihydroxypropylcarbamoyl)naphthalene-1-carboxylic acid?
The IUPAC name of 8-(2,3-dihydroxypropylcarbamoyl)naphthalene-1-carboxylic acid (CID 66178018) is 8-(2,3-dihydroxypropylcarbamoyl)naphthalene-1-carboxylic acid.
What is the SMILES notation for 8-(2,3-dihydroxypropylcarbamoyl)naphthalene-1-carboxylic acid?
The canonical SMILES for 8-(2,3-dihydroxypropylcarbamoyl)naphthalene-1-carboxylic acid is O=C(O)c1cccc2cccc(C(=O)NCC(O)CO)c12.
What is the InChIKey of 8-(2,3-dihydroxypropylcarbamoyl)naphthalene-1-carboxylic acid?
The InChIKey is RWZSIVFKXJPBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c17-8-10(18)7-16-14(19)11-5-1-3-9-4-2-6-12(13(9)11)15(20)21/h1-6,10,17-18H,7-8H2,(H,16,19)(H,20,21).
What are the key properties of 8-(2,3-dihydroxypropylcarbamoyl)naphthalene-1-carboxylic acid?
8-(2,3-dihydroxypropylcarbamoyl)naphthalene-1-carboxylic acid has a molecular weight of 289.29 g/mol, XLogP of 0.62, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dihydroxypropylcarbamoyl)naphthalene-1-carboxylic acid is sourced from PubChem (CID 66178018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).