4-hydroxy-1-(3-pyridin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid

C13H16N2O4 — CID 43356906

IUPAC4-hydroxy-1-(3-pyridin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)CCc1cccnc1
InChIInChI=1S/C13H16N2O4/c16-10-6-11(13(18)19)15(8-10)12(17)4-3-9-2-1-5-14-7-9/h1-2,5,7,10-11,16H,3-4,6,8H2,(H,18,19)
InChIKeySJAFMCUADFVVRJ-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.06
Rot. Bonds4

About 4-hydroxy-1-(3-pyridin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid

4-hydroxy-1-(3-pyridin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 43356906) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-hydroxy-1-(3-pyridin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(3-pyridin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid
PubChem CID43356906
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name4-hydroxy-1-(3-pyridin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)CCc1cccnc1
InChIInChI=1S/C13H16N2O4/c16-10-6-11(13(18)19)15(8-10)12(17)4-3-9-2-1-5-14-7-9/h1-2,5,7,10-11,16H,3-4,6,8H2,(H,18,19)
InChIKeySJAFMCUADFVVRJ-UHFFFAOYSA-N
XLogP0.06
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4S)-4-hydroxy-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid
CID 50975830
4-methyl-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid
CID 114421990
1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid
CID 43356028
methyl 4-hydroxy-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carboxylate
CID 112632372
methyl 4-hydroxy-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate
CID 115970990
(2S,4R)-4-hydroxy-1-(3-pyridin-3-ylprop-2-enoyl)pyrrolidine-2-carboxylic acid
CID 78952447
1-[3-(furan-2-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 43209855
4-hydroxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxylic acid
CID 43184306
1-[5-(aminomethyl)-2-methylpiperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 114289980
(2S,4S)-4-hydroxy-1-(3-phenylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid
CID 64714756
(2S,4S)-4-hydroxy-1-(2-pyridin-4-ylsulfanylacetyl)pyrrolidine-2-carboxylic acid
CID 64714414
1-[(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-3-pyridin-3-ylpropan-1-one
CID 72696638

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(3-pyridin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(3-pyridin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid (CID 43356906) is 4-hydroxy-1-(3-pyridin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(3-pyridin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(3-pyridin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CC(O)CN1C(=O)CCc1cccnc1.
What is the InChIKey of 4-hydroxy-1-(3-pyridin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is SJAFMCUADFVVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-10-6-11(13(18)19)15(8-10)12(17)4-3-9-2-1-5-14-7-9/h1-2,5,7,10-11,16H,3-4,6,8H2,(H,18,19).
What are the key properties of 4-hydroxy-1-(3-pyridin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid?
4-hydroxy-1-(3-pyridin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(3-pyridin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43356906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).