2-hydroxy-3-(2-hydroxynaphthalene-1-carbonyl)oxybutanedioic acid;hydrochloride

C15H13ClO8 — CID 67630986

IUPAC2-hydroxy-3-(2-hydroxynaphthalene-1-carbonyl)oxybutanedioic acid;hydrochloride
SMILESCl.O=C(OC(C(=O)O)C(O)C(=O)O)c1c(O)ccc2ccccc12
InChIInChI=1S/C15H12O8.ClH/c16-9-6-5-7-3-1-2-4-8(7)10(9)15(22)23-12(14(20)21)11(17)13(18)19;/h1-6,11-12,16-17H,(H,18,19)(H,20,21);1H
InChIKeyBEIIUXKWQOUTEA-UHFFFAOYSA-N
MW356.71 g/mol
LogP1.02
Rot. Bonds5

About 2-hydroxy-3-(2-hydroxynaphthalene-1-carbonyl)oxybutanedioic acid;hydrochloride

2-hydroxy-3-(2-hydroxynaphthalene-1-carbonyl)oxybutanedioic acid;hydrochloride (PubChem CID 67630986) has the molecular formula C15H13ClO8 and a molecular weight of 356.71 g/mol. Its IUPAC name is 2-hydroxy-3-(2-hydroxynaphthalene-1-carbonyl)oxybutanedioic acid;hydrochloride.

Molecular Properties

Compound Name2-hydroxy-3-(2-hydroxynaphthalene-1-carbonyl)oxybutanedioic acid;hydrochloride
PubChem CID67630986
Molecular FormulaC15H13ClO8
Molecular Weight356.71 g/mol
Exact Mass356.03
IUPAC Name2-hydroxy-3-(2-hydroxynaphthalene-1-carbonyl)oxybutanedioic acid;hydrochloride
SMILESCl.O=C(OC(C(=O)O)C(O)C(=O)O)c1c(O)ccc2ccccc12
InChIInChI=1S/C15H12O8.ClH/c16-9-6-5-7-3-1-2-4-8(7)10(9)15(22)23-12(14(20)21)11(17)13(18)19;/h1-6,11-12,16-17H,(H,18,19)(H,20,21);1H
InChIKeyBEIIUXKWQOUTEA-UHFFFAOYSA-N
XLogP1.02
TPSA141.36 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.71
LogP ≤ 51.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-hydroxy-3-(2-hydroxynaphthalene-1-carbonyl)oxybutanedioic acid;hydrochloride 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

2-benzoyloxy-3-hydroxybutanedioic acid;hydrate
CID 70424057
bis(2-hydroxynaphthalen-1-yl)methanone
CID 68928260
(E)-4-(2-hydroxynaphthalen-1-yl)-4-oxobut-2-enoic acid
CID 82263015
diethylamino 2-hydroxynaphthalene-1-carboxylate
CID 22369256
2-(2-hydroxynaphthalen-1-yl)oxypropanoic acid
CID 140626524
methyl 3-hydroxyphenanthrene-4-carboxylate
CID 89028786
3-(2-hydroxynaphthalene-1-carbonyl)oxynaphthalene-2-carboxylic acid
CID 57176431
(2S,3S)-2-[2,6-di(propan-2-yloxy)benzoyl]oxy-3-hydroxybutanedioic acid
CID 11552431
methyl 2-[(2-hydroxyphenyl)methyl]naphthalene-1-carboxylate
CID 15483504
2-hydroxy-N,N-dimethylnaphthalene-1-carboxamide
CID 23279236
(4-phenylpiperidin-4-yl) 2-hydroxynaphthalene-1-carboxylate
CID 167314999
(2-hydroxynaphthalen-1-yl)oxy-oxooxidanium
CID 91550441

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(2-hydroxynaphthalene-1-carbonyl)oxybutanedioic acid;hydrochloride?
The IUPAC name of 2-hydroxy-3-(2-hydroxynaphthalene-1-carbonyl)oxybutanedioic acid;hydrochloride (CID 67630986) is 2-hydroxy-3-(2-hydroxynaphthalene-1-carbonyl)oxybutanedioic acid;hydrochloride.
What is the SMILES notation for 2-hydroxy-3-(2-hydroxynaphthalene-1-carbonyl)oxybutanedioic acid;hydrochloride?
The canonical SMILES for 2-hydroxy-3-(2-hydroxynaphthalene-1-carbonyl)oxybutanedioic acid;hydrochloride is Cl.O=C(OC(C(=O)O)C(O)C(=O)O)c1c(O)ccc2ccccc12.
What is the InChIKey of 2-hydroxy-3-(2-hydroxynaphthalene-1-carbonyl)oxybutanedioic acid;hydrochloride?
The InChIKey is BEIIUXKWQOUTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O8.ClH/c16-9-6-5-7-3-1-2-4-8(7)10(9)15(22)23-12(14(20)21)11(17)13(18)19;/h1-6,11-12,16-17H,(H,18,19)(H,20,21);1H.
What are the key properties of 2-hydroxy-3-(2-hydroxynaphthalene-1-carbonyl)oxybutanedioic acid;hydrochloride?
2-hydroxy-3-(2-hydroxynaphthalene-1-carbonyl)oxybutanedioic acid;hydrochloride has a molecular weight of 356.71 g/mol, XLogP of 1.02, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(2-hydroxynaphthalene-1-carbonyl)oxybutanedioic acid;hydrochloride is sourced from PubChem (CID 67630986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).