5-[(4-methyl-2-oxochromen-7-yl)amino]-5-oxopentanoic acid

C15H15NO5 — CID 1212755

IUPAC5-[(4-methyl-2-oxochromen-7-yl)amino]-5-oxopentanoic acid
SMILESCc1cc(=O)oc2cc(NC(=O)CCCC(=O)O)ccc12
InChIInChI=1S/C15H15NO5/c1-9-7-15(20)21-12-8-10(5-6-11(9)12)16-13(17)3-2-4-14(18)19/h5-8H,2-4H2,1H3,(H,16,17)(H,18,19)
InChIKeyVFSSPFPKIUZLKN-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.29
Rot. Bonds5

About 5-[(4-methyl-2-oxochromen-7-yl)amino]-5-oxopentanoic acid

5-[(4-methyl-2-oxochromen-7-yl)amino]-5-oxopentanoic acid (PubChem CID 1212755) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is 5-[(4-methyl-2-oxochromen-7-yl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(4-methyl-2-oxochromen-7-yl)amino]-5-oxopentanoic acid
PubChem CID1212755
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name5-[(4-methyl-2-oxochromen-7-yl)amino]-5-oxopentanoic acid
SMILESCc1cc(=O)oc2cc(NC(=O)CCCC(=O)O)ccc12
InChIInChI=1S/C15H15NO5/c1-9-7-15(20)21-12-8-10(5-6-11(9)12)16-13(17)3-2-4-14(18)19/h5-8H,2-4H2,1H3,(H,16,17)(H,18,19)
InChIKeyVFSSPFPKIUZLKN-UHFFFAOYSA-N
XLogP2.29
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methyl-2-oxochromen-7-yl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[(4-methyl-2-oxochromen-7-yl)amino]-5-oxopentanoic acid (CID 1212755) is 5-[(4-methyl-2-oxochromen-7-yl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(4-methyl-2-oxochromen-7-yl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(4-methyl-2-oxochromen-7-yl)amino]-5-oxopentanoic acid is Cc1cc(=O)oc2cc(NC(=O)CCCC(=O)O)ccc12.
What is the InChIKey of 5-[(4-methyl-2-oxochromen-7-yl)amino]-5-oxopentanoic acid?
The InChIKey is VFSSPFPKIUZLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-9-7-15(20)21-12-8-10(5-6-11(9)12)16-13(17)3-2-4-14(18)19/h5-8H,2-4H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-[(4-methyl-2-oxochromen-7-yl)amino]-5-oxopentanoic acid?
5-[(4-methyl-2-oxochromen-7-yl)amino]-5-oxopentanoic acid has a molecular weight of 289.29 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methyl-2-oxochromen-7-yl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 1212755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).