3-piperidin-1-yl-2-pyrrolidin-3-ylpropanoic acid

C12H22N2O2 — CID 117238153

IUPAC3-piperidin-1-yl-2-pyrrolidin-3-ylpropanoic acid
SMILESO=C(O)C(CN1CCCCC1)C1CCNC1
InChIInChI=1S/C12H22N2O2/c15-12(16)11(10-4-5-13-8-10)9-14-6-2-1-3-7-14/h10-11,13H,1-9H2,(H,15,16)
InChIKeyURIDTOSCTBFUTI-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.78
Rot. Bonds4

About 3-piperidin-1-yl-2-pyrrolidin-3-ylpropanoic acid

3-piperidin-1-yl-2-pyrrolidin-3-ylpropanoic acid (PubChem CID 117238153) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-piperidin-1-yl-2-pyrrolidin-3-ylpropanoic acid.

Molecular Properties

Compound Name3-piperidin-1-yl-2-pyrrolidin-3-ylpropanoic acid
PubChem CID117238153
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-piperidin-1-yl-2-pyrrolidin-3-ylpropanoic acid
SMILESO=C(O)C(CN1CCCCC1)C1CCNC1
InChIInChI=1S/C12H22N2O2/c15-12(16)11(10-4-5-13-8-10)9-14-6-2-1-3-7-14/h10-11,13H,1-9H2,(H,15,16)
InChIKeyURIDTOSCTBFUTI-UHFFFAOYSA-N
XLogP0.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-piperidin-1-yl-2-pyrrolidin-3-ylpropanoic 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

3-(azepan-1-yl)-2-piperidin-4-ylpropanoic acid
CID 117239592
2-cyclopropyl-3-pyrrolidin-1-ylpropanoic acid
CID 117245478
3-(azepan-1-yl)-2-(1-methylpiperidin-4-yl)propanoic acid
CID 117239593
2-[(3S)-pyrrolidin-3-yl]butanoic acid
CID 166105507
(2S)-2-[(3R)-pyrrolidin-3-yl]butanoic acid
CID 96735707
3-(azepan-1-yl)-2-(thiolan-3-yl)propanoic acid
CID 117238165
3-phenyl-2-[(3S)-pyrrolidin-3-yl]propanoic acid
CID 166708021
2-piperazin-1-yl-1-pyrrolidin-3-ylethanol
CID 115021800
2-piperidin-3-yl-3-sulfopropanoic acid
CID 54368864
3-(azocan-1-yl)-2-hydroxypropanoic acid
CID 130593606
N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 63005234
N-pyrrolidin-3-yl-N-(3-pyrrolidin-1-ylpropyl)cyclopropanecarboxamide
CID 172908880

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-2-pyrrolidin-3-ylpropanoic acid?
The IUPAC name of 3-piperidin-1-yl-2-pyrrolidin-3-ylpropanoic acid (CID 117238153) is 3-piperidin-1-yl-2-pyrrolidin-3-ylpropanoic acid.
What is the SMILES notation for 3-piperidin-1-yl-2-pyrrolidin-3-ylpropanoic acid?
The canonical SMILES for 3-piperidin-1-yl-2-pyrrolidin-3-ylpropanoic acid is O=C(O)C(CN1CCCCC1)C1CCNC1.
What is the InChIKey of 3-piperidin-1-yl-2-pyrrolidin-3-ylpropanoic acid?
The InChIKey is URIDTOSCTBFUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c15-12(16)11(10-4-5-13-8-10)9-14-6-2-1-3-7-14/h10-11,13H,1-9H2,(H,15,16).
What are the key properties of 3-piperidin-1-yl-2-pyrrolidin-3-ylpropanoic acid?
3-piperidin-1-yl-2-pyrrolidin-3-ylpropanoic acid has a molecular weight of 226.32 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-2-pyrrolidin-3-ylpropanoic acid is sourced from PubChem (CID 117238153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).