(2R)-2-[2-(4-ethyl-2-oxochromen-7-yl)oxypropanoylamino]propanoic acid

C17H19NO6 — CID 135639471

IUPAC(2R)-2-[2-(4-ethyl-2-oxochromen-7-yl)oxypropanoylamino]propanoic acid
SMILESCCc1cc(=O)oc2cc(OC(C)C(=O)N[C@H](C)C(=O)O)ccc12
InChIInChI=1S/C17H19NO6/c1-4-11-7-15(19)24-14-8-12(5-6-13(11)14)23-10(3)16(20)18-9(2)17(21)22/h5-10H,4H2,1-3H3,(H,18,20)(H,21,22)/t9-,10?/m1/s1
InChIKeyMJYPAMOKFYGEPF-YHMJZVADSA-N
MW333.34 g/mol
LogP1.71
Rot. Bonds6

About (2R)-2-[2-(4-ethyl-2-oxochromen-7-yl)oxypropanoylamino]propanoic acid

(2R)-2-[2-(4-ethyl-2-oxochromen-7-yl)oxypropanoylamino]propanoic acid (PubChem CID 135639471) has the molecular formula C17H19NO6 and a molecular weight of 333.34 g/mol. Its IUPAC name is (2R)-2-[2-(4-ethyl-2-oxochromen-7-yl)oxypropanoylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-(4-ethyl-2-oxochromen-7-yl)oxypropanoylamino]propanoic acid
PubChem CID135639471
Molecular FormulaC17H19NO6
Molecular Weight333.34 g/mol
Exact Mass333.12
IUPAC Name(2R)-2-[2-(4-ethyl-2-oxochromen-7-yl)oxypropanoylamino]propanoic acid
SMILESCCc1cc(=O)oc2cc(OC(C)C(=O)N[C@H](C)C(=O)O)ccc12
InChIInChI=1S/C17H19NO6/c1-4-11-7-15(19)24-14-8-12(5-6-13(11)14)23-10(3)16(20)18-9(2)17(21)22/h5-10H,4H2,1-3H3,(H,18,20)(H,21,22)/t9-,10?/m1/s1
InChIKeyMJYPAMOKFYGEPF-YHMJZVADSA-N
XLogP1.71
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R)-2-[2-(4-ethyl-2-oxochromen-7-yl)oxypropanoylamino]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

2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-hydroxypropyl)propanamide
CID 4906505
(2R)-2-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]propanoic acid
CID 928071
(2S)-2-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]propanoic acid
CID 7299769
2-[[(2R)-2-(4-ethyl-2-oxochromen-7-yl)oxypropanoyl]amino]acetate
CID 6953924
3-methyl-2-[2-(2-oxo-4-propylchromen-7-yl)oxypropanoylamino]pentanoic acid
CID 3691454
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-fluoro-4-methylphenyl)propanamide
CID 24511939
4-[2-(2-oxo-4-propylchromen-7-yl)oxypropanoylamino]butanoic acid
CID 5106328
2-[2-(3-hexyl-4-methyl-2-oxochromen-7-yl)oxypropanoylamino]propanoic acid
CID 3842138
(2R)-3-methyl-2-[[(2S)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]butanoic acid
CID 928635
(2R)-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide
CID 7580834
(2R)-3-methyl-2-[2-(2-oxo-4-phenylchromen-7-yl)oxypropanoylamino]butanoic acid
CID 75490946
7-(3-oxobutan-2-yloxy)-4-propylchromen-2-one
CID 3729942

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(4-ethyl-2-oxochromen-7-yl)oxypropanoylamino]propanoic acid?
The IUPAC name of (2R)-2-[2-(4-ethyl-2-oxochromen-7-yl)oxypropanoylamino]propanoic acid (CID 135639471) is (2R)-2-[2-(4-ethyl-2-oxochromen-7-yl)oxypropanoylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[2-(4-ethyl-2-oxochromen-7-yl)oxypropanoylamino]propanoic acid?
The canonical SMILES for (2R)-2-[2-(4-ethyl-2-oxochromen-7-yl)oxypropanoylamino]propanoic acid is CCc1cc(=O)oc2cc(OC(C)C(=O)N[C@H](C)C(=O)O)ccc12.
What is the InChIKey of (2R)-2-[2-(4-ethyl-2-oxochromen-7-yl)oxypropanoylamino]propanoic acid?
The InChIKey is MJYPAMOKFYGEPF-YHMJZVADSA-N. The full InChI is InChI=1S/C17H19NO6/c1-4-11-7-15(19)24-14-8-12(5-6-13(11)14)23-10(3)16(20)18-9(2)17(21)22/h5-10H,4H2,1-3H3,(H,18,20)(H,21,22)/t9-,10?/m1/s1.
What are the key properties of (2R)-2-[2-(4-ethyl-2-oxochromen-7-yl)oxypropanoylamino]propanoic acid?
(2R)-2-[2-(4-ethyl-2-oxochromen-7-yl)oxypropanoylamino]propanoic acid has a molecular weight of 333.34 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(4-ethyl-2-oxochromen-7-yl)oxypropanoylamino]propanoic acid is sourced from PubChem (CID 135639471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).