(2S)-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxylic acid

C13H16N2O4 — CID 61136973

IUPAC(2S)-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)CCn1ccccc1=O
InChIInChI=1S/C13H16N2O4/c16-11-5-1-2-7-14(11)9-6-12(17)15-8-3-4-10(15)13(18)19/h1-2,5,7,10H,3-4,6,8-9H2,(H,18,19)/t10-/m0/s1
InChIKeyIULHIHYQOGIQAP-JTQLQIEISA-N
MW264.28 g/mol
LogP0.31
Rot. Bonds4

About (2S)-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxylic acid

(2S)-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 61136973) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is (2S)-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID61136973
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name(2S)-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)CCn1ccccc1=O
InChIInChI=1S/C13H16N2O4/c16-11-5-1-2-7-14(11)9-6-12(17)15-8-3-4-10(15)13(18)19/h1-2,5,7,10H,3-4,6,8-9H2,(H,18,19)/t10-/m0/s1
InChIKeyIULHIHYQOGIQAP-JTQLQIEISA-N
XLogP0.31
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxylic acid (CID 61136973) is (2S)-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1C(=O)CCn1ccccc1=O.
What is the InChIKey of (2S)-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is IULHIHYQOGIQAP-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16N2O4/c16-11-5-1-2-7-14(11)9-6-12(17)15-8-3-4-10(15)13(18)19/h1-2,5,7,10H,3-4,6,8-9H2,(H,18,19)/t10-/m0/s1.
What are the key properties of (2S)-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61136973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).