4-amino-5-(7-amino-4-methyl-2-oxochromen-3-yl)-5-oxopentanoic acid

C15H16N2O5 — CID 87556335

IUPAC4-amino-5-(7-amino-4-methyl-2-oxochromen-3-yl)-5-oxopentanoic acid
SMILESCc1c(C(=O)C(N)CCC(=O)O)c(=O)oc2cc(N)ccc12
InChIInChI=1S/C15H16N2O5/c1-7-9-3-2-8(16)6-11(9)22-15(21)13(7)14(20)10(17)4-5-12(18)19/h2-3,6,10H,4-5,16-17H2,1H3,(H,18,19)
InChIKeyYJPBOJZKSWMIGO-UHFFFAOYSA-N
MW304.30 g/mol
LogP1.06
Rot. Bonds5

About 4-amino-5-(7-amino-4-methyl-2-oxochromen-3-yl)-5-oxopentanoic acid

4-amino-5-(7-amino-4-methyl-2-oxochromen-3-yl)-5-oxopentanoic acid (PubChem CID 87556335) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is 4-amino-5-(7-amino-4-methyl-2-oxochromen-3-yl)-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-(7-amino-4-methyl-2-oxochromen-3-yl)-5-oxopentanoic acid
PubChem CID87556335
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name4-amino-5-(7-amino-4-methyl-2-oxochromen-3-yl)-5-oxopentanoic acid
SMILESCc1c(C(=O)C(N)CCC(=O)O)c(=O)oc2cc(N)ccc12
InChIInChI=1S/C15H16N2O5/c1-7-9-3-2-8(16)6-11(9)22-15(21)13(7)14(20)10(17)4-5-12(18)19/h2-3,6,10H,4-5,16-17H2,1H3,(H,18,19)
InChIKeyYJPBOJZKSWMIGO-UHFFFAOYSA-N
XLogP1.06
TPSA136.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(7-amino-4-methyl-2-oxochromen-3-yl)-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-(7-amino-4-methyl-2-oxochromen-3-yl)-5-oxopentanoic acid (CID 87556335) is 4-amino-5-(7-amino-4-methyl-2-oxochromen-3-yl)-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-(7-amino-4-methyl-2-oxochromen-3-yl)-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-(7-amino-4-methyl-2-oxochromen-3-yl)-5-oxopentanoic acid is Cc1c(C(=O)C(N)CCC(=O)O)c(=O)oc2cc(N)ccc12.
What is the InChIKey of 4-amino-5-(7-amino-4-methyl-2-oxochromen-3-yl)-5-oxopentanoic acid?
The InChIKey is YJPBOJZKSWMIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-7-9-3-2-8(16)6-11(9)22-15(21)13(7)14(20)10(17)4-5-12(18)19/h2-3,6,10H,4-5,16-17H2,1H3,(H,18,19).
What are the key properties of 4-amino-5-(7-amino-4-methyl-2-oxochromen-3-yl)-5-oxopentanoic acid?
4-amino-5-(7-amino-4-methyl-2-oxochromen-3-yl)-5-oxopentanoic acid has a molecular weight of 304.30 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(7-amino-4-methyl-2-oxochromen-3-yl)-5-oxopentanoic acid is sourced from PubChem (CID 87556335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).