2-[(6,7-dimethyl-2-oxochromene-3-carbonyl)-methylamino]acetic acid

C15H15NO5 — CID 22890145

IUPAC2-[(6,7-dimethyl-2-oxochromene-3-carbonyl)-methylamino]acetic acid
SMILESCc1cc2cc(C(=O)N(C)CC(=O)O)c(=O)oc2cc1C
InChIInChI=1S/C15H15NO5/c1-8-4-10-6-11(14(19)16(3)7-13(17)18)15(20)21-12(10)5-9(8)2/h4-6H,7H2,1-3H3,(H,17,18)
InChIKeyNGGWTEDGWSSOEF-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.57
Rot. Bonds3

About 2-[(6,7-dimethyl-2-oxochromene-3-carbonyl)-methylamino]acetic acid

2-[(6,7-dimethyl-2-oxochromene-3-carbonyl)-methylamino]acetic acid (PubChem CID 22890145) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-[(6,7-dimethyl-2-oxochromene-3-carbonyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(6,7-dimethyl-2-oxochromene-3-carbonyl)-methylamino]acetic acid
PubChem CID22890145
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name2-[(6,7-dimethyl-2-oxochromene-3-carbonyl)-methylamino]acetic acid
SMILESCc1cc2cc(C(=O)N(C)CC(=O)O)c(=O)oc2cc1C
InChIInChI=1S/C15H15NO5/c1-8-4-10-6-11(14(19)16(3)7-13(17)18)15(20)21-12(10)5-9(8)2/h4-6H,7H2,1-3H3,(H,17,18)
InChIKeyNGGWTEDGWSSOEF-UHFFFAOYSA-N
XLogP1.57
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,5-dimethylbenzoyl)-methylamino]acetic acid
CID 18071913
N-methyl-2-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]chromene-3-carboxamide
CID 9475464
2-[(5,6-dimethyl-1-benzofuran-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 119189822
N-methyl-2-oxo-N-propylchromene-3-carboxamide
CID 6457032
2-[(6,7-dimethyl-2-oxochromene-3-carbonyl)amino]benzoic acid
CID 89114835
2-(4-hydroxy-N-(6-hydroxy-2-oxochromene-3-carbonyl)anilino)acetic acid
CID 54546692
2-(N-(2-oxochromene-3-carbonyl)anilino)acetic acid
CID 54511869
2-[[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-methylamino]acetic acid
CID 119346496
ethyl 7-(ethylamino)-6-methyl-2-oxochromene-3-carboxylate
CID 12792494
6-fluoro-N,N-dimethyl-2-oxochromene-3-carboxamide
CID 110486839
2-[(2,5-dibromobenzoyl)-methylamino]acetic acid
CID 114367825
2-[(3-hydroxy-4-methylbenzoyl)-methylamino]acetic acid
CID 16772669

Frequently Asked Questions

What is the IUPAC name of 2-[(6,7-dimethyl-2-oxochromene-3-carbonyl)-methylamino]acetic acid?
The IUPAC name of 2-[(6,7-dimethyl-2-oxochromene-3-carbonyl)-methylamino]acetic acid (CID 22890145) is 2-[(6,7-dimethyl-2-oxochromene-3-carbonyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(6,7-dimethyl-2-oxochromene-3-carbonyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(6,7-dimethyl-2-oxochromene-3-carbonyl)-methylamino]acetic acid is Cc1cc2cc(C(=O)N(C)CC(=O)O)c(=O)oc2cc1C.
What is the InChIKey of 2-[(6,7-dimethyl-2-oxochromene-3-carbonyl)-methylamino]acetic acid?
The InChIKey is NGGWTEDGWSSOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-8-4-10-6-11(14(19)16(3)7-13(17)18)15(20)21-12(10)5-9(8)2/h4-6H,7H2,1-3H3,(H,17,18).
What are the key properties of 2-[(6,7-dimethyl-2-oxochromene-3-carbonyl)-methylamino]acetic acid?
2-[(6,7-dimethyl-2-oxochromene-3-carbonyl)-methylamino]acetic acid has a molecular weight of 289.29 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6,7-dimethyl-2-oxochromene-3-carbonyl)-methylamino]acetic acid is sourced from PubChem (CID 22890145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).