2-cyclopropyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid

C14H18N2O4 — CID 43172568

IUPAC2-cyclopropyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid
SMILESCC(NC(=O)CCn1ccccc1=O)(C(=O)O)C1CC1
InChIInChI=1S/C14H18N2O4/c1-14(13(19)20,10-5-6-10)15-11(17)7-9-16-8-3-2-4-12(16)18/h2-4,8,10H,5-7,9H2,1H3,(H,15,17)(H,19,20)
InChIKeyLRQHWUQWMZIXOQ-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.61
Rot. Bonds6

About 2-cyclopropyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid

2-cyclopropyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid (PubChem CID 43172568) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-cyclopropyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid
PubChem CID43172568
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-cyclopropyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid
SMILESCC(NC(=O)CCn1ccccc1=O)(C(=O)O)C1CC1
InChIInChI=1S/C14H18N2O4/c1-14(13(19)20,10-5-6-10)15-11(17)7-9-16-8-3-2-4-12(16)18/h2-4,8,10H,5-7,9H2,1H3,(H,15,17)(H,19,20)
InChIKeyLRQHWUQWMZIXOQ-UHFFFAOYSA-N
XLogP0.61
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid (CID 43172568) is 2-cyclopropyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid is CC(NC(=O)CCn1ccccc1=O)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid?
The InChIKey is LRQHWUQWMZIXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-14(13(19)20,10-5-6-10)15-11(17)7-9-16-8-3-2-4-12(16)18/h2-4,8,10H,5-7,9H2,1H3,(H,15,17)(H,19,20).
What are the key properties of 2-cyclopropyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid?
2-cyclopropyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid has a molecular weight of 278.31 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid is sourced from PubChem (CID 43172568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).