methyl 2-[(3,5-dihydroxynaphthalene-2-carbonyl)amino]-3-hydroxypropanoate

C15H15NO6 — CID 10125583

IUPACmethyl 2-[(3,5-dihydroxynaphthalene-2-carbonyl)amino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NC(=O)c1cc2cccc(O)c2cc1O
InChIInChI=1S/C15H15NO6/c1-22-15(21)11(7-17)16-14(20)10-5-8-3-2-4-12(18)9(8)6-13(10)19/h2-6,11,17-19H,7H2,1H3,(H,16,20)
InChIKeyZAIXROZCPQSQDW-UHFFFAOYSA-N
MW305.29 g/mol
LogP0.51
Rot. Bonds4

About methyl 2-[(3,5-dihydroxynaphthalene-2-carbonyl)amino]-3-hydroxypropanoate

methyl 2-[(3,5-dihydroxynaphthalene-2-carbonyl)amino]-3-hydroxypropanoate (PubChem CID 10125583) has the molecular formula C15H15NO6 and a molecular weight of 305.29 g/mol. Its IUPAC name is methyl 2-[(3,5-dihydroxynaphthalene-2-carbonyl)amino]-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-[(3,5-dihydroxynaphthalene-2-carbonyl)amino]-3-hydroxypropanoate
PubChem CID10125583
Molecular FormulaC15H15NO6
Molecular Weight305.29 g/mol
Exact Mass305.09
IUPAC Namemethyl 2-[(3,5-dihydroxynaphthalene-2-carbonyl)amino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NC(=O)c1cc2cccc(O)c2cc1O
InChIInChI=1S/C15H15NO6/c1-22-15(21)11(7-17)16-14(20)10-5-8-3-2-4-12(18)9(8)6-13(10)19/h2-6,11,17-19H,7H2,1H3,(H,16,20)
InChIKeyZAIXROZCPQSQDW-UHFFFAOYSA-N
XLogP0.51
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 50.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(3,5-dihydroxynaphthalene-2-carbonyl)amino]-3-hydroxypropanoate 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

methyl 3-hydroxy-2-[(2-hydroxy-5-methoxybenzoyl)amino]propanoate
CID 43422798
methyl 2-[(4-chloro-2-hydroxybenzoyl)amino]-3-hydroxypropanoate
CID 43405857
methyl 2-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-(4-hydroxyphenyl)propanoate
CID 69207158
methyl 2-[[5-(4-aminobutoxy)-3-hydroxynaphthalene-2-carbonyl]amino]-3-phenylpropanoate
CID 22094893
methyl (2S)-3-hydroxy-2-(1H-indole-4-carbonylamino)propanoate
CID 152504979
methyl (2S)-3-hydroxy-2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]propanoate
CID 9277768
2-methylpropyl 3,5-dihydroxynaphthalene-2-carboxylate
CID 18787642
methyl 2-[(2-chloro-3-fluorobenzoyl)amino]-3-hydroxypropanoate
CID 81462130
methyl 2-(1-benzofuran-2-carbonylamino)-3-hydroxypropanoate
CID 43405796
methyl (2S)-3-[4-(4-fluorophenyl)phenyl]-2-[(3-hydroxynaphthalene-2-carbonyl)amino]propanoate
CID 69207172
methyl 3-hydroxy-2-(quinoline-5-carbonylamino)propanoate
CID 43422482
methyl 3-hydroxy-2-[[2-(methoxymethyl)benzoyl]amino]propanoate
CID 43623509

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,5-dihydroxynaphthalene-2-carbonyl)amino]-3-hydroxypropanoate?
The IUPAC name of methyl 2-[(3,5-dihydroxynaphthalene-2-carbonyl)amino]-3-hydroxypropanoate (CID 10125583) is methyl 2-[(3,5-dihydroxynaphthalene-2-carbonyl)amino]-3-hydroxypropanoate.
What is the SMILES notation for methyl 2-[(3,5-dihydroxynaphthalene-2-carbonyl)amino]-3-hydroxypropanoate?
The canonical SMILES for methyl 2-[(3,5-dihydroxynaphthalene-2-carbonyl)amino]-3-hydroxypropanoate is COC(=O)C(CO)NC(=O)c1cc2cccc(O)c2cc1O.
What is the InChIKey of methyl 2-[(3,5-dihydroxynaphthalene-2-carbonyl)amino]-3-hydroxypropanoate?
The InChIKey is ZAIXROZCPQSQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO6/c1-22-15(21)11(7-17)16-14(20)10-5-8-3-2-4-12(18)9(8)6-13(10)19/h2-6,11,17-19H,7H2,1H3,(H,16,20).
What are the key properties of methyl 2-[(3,5-dihydroxynaphthalene-2-carbonyl)amino]-3-hydroxypropanoate?
methyl 2-[(3,5-dihydroxynaphthalene-2-carbonyl)amino]-3-hydroxypropanoate has a molecular weight of 305.29 g/mol, XLogP of 0.51, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,5-dihydroxynaphthalene-2-carbonyl)amino]-3-hydroxypropanoate is sourced from PubChem (CID 10125583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).