2-[[(2S)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]acetic acid

C15H15NO6 — CID 728602

IUPAC2-[[(2S)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]acetic acid
SMILESCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCC(=O)O)ccc12
InChIInChI=1S/C15H15NO6/c1-8-5-14(19)22-12-6-10(3-4-11(8)12)21-9(2)15(20)16-7-13(17)18/h3-6,9H,7H2,1-2H3,(H,16,20)(H,17,18)/t9-/m0/s1
InChIKeyDYSKDKDFBRJGTB-VIFPVBQESA-N
MW305.29 g/mol
LogP1.07
Rot. Bonds5

About 2-[[(2S)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]acetic acid

2-[[(2S)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]acetic acid (PubChem CID 728602) has the molecular formula C15H15NO6 and a molecular weight of 305.29 g/mol. Its IUPAC name is 2-[[(2S)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]acetic acid
PubChem CID728602
Molecular FormulaC15H15NO6
Molecular Weight305.29 g/mol
Exact Mass305.09
IUPAC Name2-[[(2S)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]acetic acid
SMILESCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCC(=O)O)ccc12
InChIInChI=1S/C15H15NO6/c1-8-5-14(19)22-12-6-10(3-4-11(8)12)21-9(2)15(20)16-7-13(17)18/h3-6,9H,7H2,1-2H3,(H,16,20)(H,17,18)/t9-/m0/s1
InChIKeyDYSKDKDFBRJGTB-VIFPVBQESA-N
XLogP1.07
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[(2S)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]acetic 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-methyl-2-oxochromen-7-yl)oxypropanoic acid
CID 2787139
(2S)-2-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]propanoic acid
CID 7299769
(2R)-2-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]propanoic acid
CID 928071
2-[[2-[[(2S)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanoyl]amino]acetyl]amino]acetic acid
CID 42235111
2-[[2-[[(2R)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanoyl]amino]acetyl]amino]acetic acid
CID 42235109
(2S)-N-carbamoyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 2108923
(2R)-N-tert-butyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 734864
(2R)-3-methyl-2-[[(2S)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]butanoic acid
CID 928635
4-methyl-7-(3-oxopentan-2-yloxy)chromen-2-one
CID 64866959
N-(2,6-dimethylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 19191724
(2S)-N-(4-bromophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 7916163
2-[[(2R)-2-(4-ethyl-2-oxochromen-7-yl)oxypropanoyl]amino]acetate
CID 6953924

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]acetic acid?
The IUPAC name of 2-[[(2S)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]acetic acid (CID 728602) is 2-[[(2S)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2S)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]acetic acid?
The canonical SMILES for 2-[[(2S)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]acetic acid is Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCC(=O)O)ccc12.
What is the InChIKey of 2-[[(2S)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]acetic acid?
The InChIKey is DYSKDKDFBRJGTB-VIFPVBQESA-N. The full InChI is InChI=1S/C15H15NO6/c1-8-5-14(19)22-12-6-10(3-4-11(8)12)21-9(2)15(20)16-7-13(17)18/h3-6,9H,7H2,1-2H3,(H,16,20)(H,17,18)/t9-/m0/s1.
What are the key properties of 2-[[(2S)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]acetic acid?
2-[[(2S)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]acetic acid has a molecular weight of 305.29 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]acetic acid is sourced from PubChem (CID 728602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).