(2R)-2-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]propanoic acid

C16H17NO6 — CID 928071

IUPAC(2R)-2-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]propanoic acid
SMILESCc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@H](C)C(=O)O)ccc12
InChIInChI=1S/C16H17NO6/c1-8-6-14(18)23-13-7-11(4-5-12(8)13)22-10(3)15(19)17-9(2)16(20)21/h4-7,9-10H,1-3H3,(H,17,19)(H,20,21)/t9-,10-/m1/s1
InChIKeyCOJKTIPDXXCMAE-NXEZZACHSA-N
MW319.31 g/mol
LogP1.46
Rot. Bonds5

About (2R)-2-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]propanoic acid

(2R)-2-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]propanoic acid (PubChem CID 928071) has the molecular formula C16H17NO6 and a molecular weight of 319.31 g/mol. Its IUPAC name is (2R)-2-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]propanoic acid
PubChem CID928071
Molecular FormulaC16H17NO6
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC Name(2R)-2-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]propanoic acid
SMILESCc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@H](C)C(=O)O)ccc12
InChIInChI=1S/C16H17NO6/c1-8-6-14(18)23-13-7-11(4-5-12(8)13)22-10(3)15(19)17-9(2)16(20)21/h4-7,9-10H,1-3H3,(H,17,19)(H,20,21)/t9-,10-/m1/s1
InChIKeyCOJKTIPDXXCMAE-NXEZZACHSA-N
XLogP1.46
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R)-2-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]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-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]propanoic acid
CID 7299769
(2R)-3-methyl-2-[[(2S)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]butanoic acid
CID 928635
(2R)-2-[2-(4-ethyl-2-oxochromen-7-yl)oxypropanoylamino]propanoic acid
CID 135639471
2-(4-methyl-2-oxochromen-7-yl)oxypropanoic acid
CID 2787139
2-[[(2S)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]acetic acid
CID 728602
(2R)-N-tert-butyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 734864
(2S)-N-carbamoyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 2108923
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[1-(2-methylphenyl)ethyl]propanamide
CID 75413910
(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 7967924
N-(2,6-dimethylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 19191724
N-(3-chloro-4-methylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 19191790
(2S)-N-(4-bromophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 7916163

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]propanoic acid (CID 928071) is (2R)-2-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]propanoic acid is Cc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@H](C)C(=O)O)ccc12.
What is the InChIKey of (2R)-2-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]propanoic acid?
The InChIKey is COJKTIPDXXCMAE-NXEZZACHSA-N. The full InChI is InChI=1S/C16H17NO6/c1-8-6-14(18)23-13-7-11(4-5-12(8)13)22-10(3)15(19)17-9(2)16(20)21/h4-7,9-10H,1-3H3,(H,17,19)(H,20,21)/t9-,10-/m1/s1.
What are the key properties of (2R)-2-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]propanoic acid?
(2R)-2-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]propanoic acid has a molecular weight of 319.31 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]propanoic acid is sourced from PubChem (CID 928071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).