(2R)-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]propanoic acid

C20H17NO6 — CID 5428805

IUPAC(2R)-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)O
InChIInChI=1S/C20H17NO6/c1-12(20(24)25)21-18(22)11-26-14-7-8-15-16(13-5-3-2-4-6-13)10-19(23)27-17(15)9-14/h2-10,12H,11H2,1H3,(H,21,22)(H,24,25)/t12-/m1/s1
InChIKeyWLUKXZBJOJXVNO-GFCCVEGCSA-N
MW367.36 g/mol
LogP2.43
Rot. Bonds6

About (2R)-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]propanoic acid

(2R)-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]propanoic acid (PubChem CID 5428805) has the molecular formula C20H17NO6 and a molecular weight of 367.36 g/mol. Its IUPAC name is (2R)-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]propanoic acid
PubChem CID5428805
Molecular FormulaC20H17NO6
Molecular Weight367.36 g/mol
Exact Mass367.11
IUPAC Name(2R)-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)O
InChIInChI=1S/C20H17NO6/c1-12(20(24)25)21-18(22)11-26-14-7-8-15-16(13-5-3-2-4-6-13)10-19(23)27-17(15)9-14/h2-10,12H,11H2,1H3,(H,21,22)(H,24,25)/t12-/m1/s1
InChIKeyWLUKXZBJOJXVNO-GFCCVEGCSA-N
XLogP2.43
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze (2R)-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]propanoic 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

(2S)-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]-3-phenylpropanoic acid
CID 1194304
N-methyl-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]acetamide
CID 8806134
2-(2-oxo-4-phenylchromen-7-yl)oxy-N-[(2R)-2-phenylpropyl]acetamide
CID 7996357
2-(2-oxo-4-phenylchromen-7-yl)oxy-N-[(2S)-2-phenylpropyl]acetamide
CID 7996359
3-(4-chlorophenyl)-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]propanoic acid
CID 3653095
N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
CID 73256858
ethyl N-[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]carbamate
CID 7996380
N-(1,3-dioxoisoindol-2-yl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
CID 155543658
(2R)-2-[[2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetyl]amino]propanoic acid
CID 51808687
N-(2-methyl-6-propan-2-ylphenyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
CID 2185509
7-(2-methylprop-2-enoxy)-4-phenylchromen-2-one
CID 701624
N-(butylcarbamoyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
CID 8636135

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]propanoic acid (CID 5428805) is (2R)-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]propanoic acid is C[C@@H](NC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]propanoic acid?
The InChIKey is WLUKXZBJOJXVNO-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H17NO6/c1-12(20(24)25)21-18(22)11-26-14-7-8-15-16(13-5-3-2-4-6-13)10-19(23)27-17(15)9-14/h2-10,12H,11H2,1H3,(H,21,22)(H,24,25)/t12-/m1/s1.
What are the key properties of (2R)-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]propanoic acid?
(2R)-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]propanoic acid has a molecular weight of 367.36 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]propanoic acid is sourced from PubChem (CID 5428805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).