2-hydroxy-3-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]propanoic acid

C20H17NO6 — CID 166207623

IUPAC2-hydroxy-3-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]propanoic acid
SMILESCc1c(-c2ccccc2)oc2c(C(=O)NCC(O)C(=O)O)cccc2c1=O
InChIInChI=1S/C20H17NO6/c1-11-16(23)13-8-5-9-14(19(24)21-10-15(22)20(25)26)18(13)27-17(11)12-6-3-2-4-7-12/h2-9,15,22H,10H2,1H3,(H,21,24)(H,25,26)
InChIKeyPRVNCBSYCHYFGT-UHFFFAOYSA-N
MW367.36 g/mol
LogP1.94
Rot. Bonds5

About 2-hydroxy-3-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]propanoic acid

2-hydroxy-3-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]propanoic acid (PubChem CID 166207623) has the molecular formula C20H17NO6 and a molecular weight of 367.36 g/mol. Its IUPAC name is 2-hydroxy-3-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]propanoic acid
PubChem CID166207623
Molecular FormulaC20H17NO6
Molecular Weight367.36 g/mol
Exact Mass367.11
IUPAC Name2-hydroxy-3-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]propanoic acid
SMILESCc1c(-c2ccccc2)oc2c(C(=O)NCC(O)C(=O)O)cccc2c1=O
InChIInChI=1S/C20H17NO6/c1-11-16(23)13-8-5-9-14(19(24)21-10-15(22)20(25)26)18(13)27-17(11)12-6-3-2-4-7-12/h2-9,15,22H,10H2,1H3,(H,21,24)(H,25,26)
InChIKeyPRVNCBSYCHYFGT-UHFFFAOYSA-N
XLogP1.94
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylsulfonylethyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 166187970
3-methyl-4-oxo-2-phenyl-N-(2-pyrrol-1-ylethyl)chromene-8-carboxamide
CID 125433000
N-tert-butyl-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 8779941
N-[2-(4-bromoanilino)-2-oxoethyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 55878876
N-[2-(2-methoxyphenoxy)ethyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 43009458
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 4210141
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 41009907
N-(1H-indol-2-ylmethyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 47086390
3-methyl-4-oxo-2-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]chromene-8-carboxamide
CID 10254630
2-methoxyethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 46642244
3-methyl-4-oxo-2-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]chromene-8-carboxamide
CID 16606726
3-methyl-N-(2-methylcyclobutyl)-4-oxo-2-phenylchromene-8-carboxamide
CID 166200068

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]propanoic acid?
The IUPAC name of 2-hydroxy-3-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]propanoic acid (CID 166207623) is 2-hydroxy-3-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-3-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-hydroxy-3-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]propanoic acid is Cc1c(-c2ccccc2)oc2c(C(=O)NCC(O)C(=O)O)cccc2c1=O.
What is the InChIKey of 2-hydroxy-3-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]propanoic acid?
The InChIKey is PRVNCBSYCHYFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO6/c1-11-16(23)13-8-5-9-14(19(24)21-10-15(22)20(25)26)18(13)27-17(11)12-6-3-2-4-7-12/h2-9,15,22H,10H2,1H3,(H,21,24)(H,25,26).
What are the key properties of 2-hydroxy-3-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]propanoic acid?
2-hydroxy-3-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]propanoic acid has a molecular weight of 367.36 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]propanoic acid is sourced from PubChem (CID 166207623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).