7-[3-(2-oxo-1-pyridinyl)propanoylamino]heptanoic acid

C15H22N2O4 — CID 43359013

IUPAC7-[3-(2-oxo-1-pyridinyl)propanoylamino]heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)CCn1ccccc1=O
InChIInChI=1S/C15H22N2O4/c18-13(9-12-17-11-6-4-7-14(17)19)16-10-5-2-1-3-8-15(20)21/h4,6-7,11H,1-3,5,8-10,12H2,(H,16,18)(H,20,21)
InChIKeyCDMQAECPHSKTQH-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.39
Rot. Bonds10

About 7-[3-(2-oxo-1-pyridinyl)propanoylamino]heptanoic acid

7-[3-(2-oxo-1-pyridinyl)propanoylamino]heptanoic acid (PubChem CID 43359013) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 7-[3-(2-oxo-1-pyridinyl)propanoylamino]heptanoic acid.

Molecular Properties

Compound Name7-[3-(2-oxo-1-pyridinyl)propanoylamino]heptanoic acid
PubChem CID43359013
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name7-[3-(2-oxo-1-pyridinyl)propanoylamino]heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)CCn1ccccc1=O
InChIInChI=1S/C15H22N2O4/c18-13(9-12-17-11-6-4-7-14(17)19)16-10-5-2-1-3-8-15(20)21/h4,6-7,11H,1-3,5,8-10,12H2,(H,16,18)(H,20,21)
InChIKeyCDMQAECPHSKTQH-UHFFFAOYSA-N
XLogP1.39
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(2-oxo-1-pyridinyl)propanoylamino]heptanoic acid?
The IUPAC name of 7-[3-(2-oxo-1-pyridinyl)propanoylamino]heptanoic acid (CID 43359013) is 7-[3-(2-oxo-1-pyridinyl)propanoylamino]heptanoic acid.
What is the SMILES notation for 7-[3-(2-oxo-1-pyridinyl)propanoylamino]heptanoic acid?
The canonical SMILES for 7-[3-(2-oxo-1-pyridinyl)propanoylamino]heptanoic acid is O=C(O)CCCCCCNC(=O)CCn1ccccc1=O.
What is the InChIKey of 7-[3-(2-oxo-1-pyridinyl)propanoylamino]heptanoic acid?
The InChIKey is CDMQAECPHSKTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c18-13(9-12-17-11-6-4-7-14(17)19)16-10-5-2-1-3-8-15(20)21/h4,6-7,11H,1-3,5,8-10,12H2,(H,16,18)(H,20,21).
What are the key properties of 7-[3-(2-oxo-1-pyridinyl)propanoylamino]heptanoic acid?
7-[3-(2-oxo-1-pyridinyl)propanoylamino]heptanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.39, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(2-oxo-1-pyridinyl)propanoylamino]heptanoic acid is sourced from PubChem (CID 43359013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).