(2S)-1-(3-pyridin-2-ylpropanoyl)pyrrolidine-2-carboxylic acid

C13H16N2O3 — CID 81453761

IUPAC(2S)-1-(3-pyridin-2-ylpropanoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)CCc1ccccn1
InChIInChI=1S/C13H16N2O3/c16-12(7-6-10-4-1-2-8-14-10)15-9-3-5-11(15)13(17)18/h1-2,4,8,11H,3,5-7,9H2,(H,17,18)/t11-/m0/s1
InChIKeyXZTGJZCISWJNEJ-NSHDSACASA-N
MW248.28 g/mol
LogP1.09
Rot. Bonds4

About (2S)-1-(3-pyridin-2-ylpropanoyl)pyrrolidine-2-carboxylic acid

(2S)-1-(3-pyridin-2-ylpropanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 81453761) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is (2S)-1-(3-pyridin-2-ylpropanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(3-pyridin-2-ylpropanoyl)pyrrolidine-2-carboxylic acid
PubChem CID81453761
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name(2S)-1-(3-pyridin-2-ylpropanoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)CCc1ccccn1
InChIInChI=1S/C13H16N2O3/c16-12(7-6-10-4-1-2-8-14-10)15-9-3-5-11(15)13(17)18/h1-2,4,8,11H,3,5-7,9H2,(H,17,18)/t11-/m0/s1
InChIKeyXZTGJZCISWJNEJ-NSHDSACASA-N
XLogP1.09
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[6-[3-(2-carboxypyrrolidin-1-yl)-3-oxopropyl]-2-pyridinyl]propanoyl]pyrrolidine-2-carboxylic acid
CID 22717151
4-(3-pyridin-2-ylpropanoyl)thiomorpholine-3-carboxylic acid
CID 82900694
1-(2-pyridin-2-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61185230
1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61195359
1-[2-(aminomethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 81479420
1-[2-(hydroxymethyl)azepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 116636366
(2S)-1-[4-(pyridin-2-ylmethoxy)benzoyl]pyrrolidine-2-carboxylic acid
CID 125147794
(2R)-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 40787079
(2R)-1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 55151521
3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one
CID 84583378
(2S)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119365584
1-(3-pyridin-4-ylpropanoyl)piperidine-2-carboxylic acid
CID 110835597

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-pyridin-2-ylpropanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(3-pyridin-2-ylpropanoyl)pyrrolidine-2-carboxylic acid (CID 81453761) is (2S)-1-(3-pyridin-2-ylpropanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(3-pyridin-2-ylpropanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(3-pyridin-2-ylpropanoyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1C(=O)CCc1ccccn1.
What is the InChIKey of (2S)-1-(3-pyridin-2-ylpropanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is XZTGJZCISWJNEJ-NSHDSACASA-N. The full InChI is InChI=1S/C13H16N2O3/c16-12(7-6-10-4-1-2-8-14-10)15-9-3-5-11(15)13(17)18/h1-2,4,8,11H,3,5-7,9H2,(H,17,18)/t11-/m0/s1.
What are the key properties of (2S)-1-(3-pyridin-2-ylpropanoyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(3-pyridin-2-ylpropanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-pyridin-2-ylpropanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 81453761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).