2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-3-hydroxypropanoic acid

C15H17NO6 — CID 108805124

IUPAC2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-3-hydroxypropanoic acid
SMILESCC1(C)CC(=O)c2cc(C(=O)NC(CO)C(=O)O)ccc2O1
InChIInChI=1S/C15H17NO6/c1-15(2)6-11(18)9-5-8(3-4-12(9)22-15)13(19)16-10(7-17)14(20)21/h3-5,10,17H,6-7H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyMYWKUSIXNOAZEW-UHFFFAOYSA-N
MW307.30 g/mol
LogP0.61
Rot. Bonds4

About 2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-3-hydroxypropanoic acid

2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-3-hydroxypropanoic acid (PubChem CID 108805124) has the molecular formula C15H17NO6 and a molecular weight of 307.30 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-3-hydroxypropanoic acid
PubChem CID108805124
Molecular FormulaC15H17NO6
Molecular Weight307.30 g/mol
Exact Mass307.11
IUPAC Name2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-3-hydroxypropanoic acid
SMILESCC1(C)CC(=O)c2cc(C(=O)NC(CO)C(=O)O)ccc2O1
InChIInChI=1S/C15H17NO6/c1-15(2)6-11(18)9-5-8(3-4-12(9)22-15)13(19)16-10(7-17)14(20)21/h3-5,10,17H,6-7H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyMYWKUSIXNOAZEW-UHFFFAOYSA-N
XLogP0.61
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-3-hydroxypropanoic 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

2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-3-sulfanylpropanoic acid
CID 108793248
2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-4-methylpentanoic acid
CID 108793168
5-amino-2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-5-oxopentanoic acid
CID 108793250
2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-3-hydroxybutanoic acid
CID 108793252
N-(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108805120
6-(2-hydroxyacetyl)-2,2-dimethyl-3H-chromen-4-one
CID 163042609
4-[[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]methyl]benzoic acid
CID 108793216
N-cyclopentyl-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793143
N-(4-ethylphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108805240
4-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-3-hydroxybenzoic acid
CID 108744223
N-[2-(diethylamino)ethyl]-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793220
N-(4-iodophenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793309

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-3-hydroxypropanoic acid (CID 108805124) is 2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-3-hydroxypropanoic acid is CC1(C)CC(=O)c2cc(C(=O)NC(CO)C(=O)O)ccc2O1.
What is the InChIKey of 2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-3-hydroxypropanoic acid?
The InChIKey is MYWKUSIXNOAZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO6/c1-15(2)6-11(18)9-5-8(3-4-12(9)22-15)13(19)16-10(7-17)14(20)21/h3-5,10,17H,6-7H2,1-2H3,(H,16,19)(H,20,21).
What are the key properties of 2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-3-hydroxypropanoic acid?
2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-3-hydroxypropanoic acid has a molecular weight of 307.30 g/mol, XLogP of 0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 108805124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).