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

C13H22N2O4 — CID 55049627

IUPAC4-hydroxy-1-(3-piperidin-4-ylpropanoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)CCC1CCNCC1
InChIInChI=1S/C13H22N2O4/c16-10-7-11(13(18)19)15(8-10)12(17)2-1-9-3-5-14-6-4-9/h9-11,14,16H,1-8H2,(H,18,19)
InChIKeyKTGCNPXIZMHVFM-UHFFFAOYSA-N
MW270.33 g/mol
LogP-0.19
Rot. Bonds4

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

4-hydroxy-1-(3-piperidin-4-ylpropanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 55049627) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-hydroxy-1-(3-piperidin-4-ylpropanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(3-piperidin-4-ylpropanoyl)pyrrolidine-2-carboxylic acid
PubChem CID55049627
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name4-hydroxy-1-(3-piperidin-4-ylpropanoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)CCC1CCNCC1
InChIInChI=1S/C13H22N2O4/c16-10-7-11(13(18)19)15(8-10)12(17)2-1-9-3-5-14-6-4-9/h9-11,14,16H,1-8H2,(H,18,19)
InChIKeyKTGCNPXIZMHVFM-UHFFFAOYSA-N
XLogP-0.19
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-1-(3-piperidin-4-ylpropanoyl)pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-piperidin-4-ylpropanoyl)piperidine-2-carboxylic acid
CID 62210229
1-(3-piperidin-4-ylpropanoyl)azepane-2-carboxylic acid
CID 64564068
(2S,4R)-1-[2-(azetidin-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64610216
(2S,4R)-4-hydroxy-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 63843186
(2R,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30079769
(2S,4S)-1-(2-cyclohexylacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713322
(2R,4R)-1-(3-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000057
(2S,4R)-1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79615394
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79607866
(2S)-1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79607781
(2S,4S)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713362
(2S,4S)-1-(2-chloroacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 46841621

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(3-piperidin-4-ylpropanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(3-piperidin-4-ylpropanoyl)pyrrolidine-2-carboxylic acid (CID 55049627) is 4-hydroxy-1-(3-piperidin-4-ylpropanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(3-piperidin-4-ylpropanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(3-piperidin-4-ylpropanoyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CC(O)CN1C(=O)CCC1CCNCC1.
What is the InChIKey of 4-hydroxy-1-(3-piperidin-4-ylpropanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is KTGCNPXIZMHVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c16-10-7-11(13(18)19)15(8-10)12(17)2-1-9-3-5-14-6-4-9/h9-11,14,16H,1-8H2,(H,18,19).
What are the key properties of 4-hydroxy-1-(3-piperidin-4-ylpropanoyl)pyrrolidine-2-carboxylic acid?
4-hydroxy-1-(3-piperidin-4-ylpropanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of -0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(3-piperidin-4-ylpropanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 55049627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).