(3R,5S)-5-(2-oxoimidazolidin-1-yl)piperidine-3-carboxylic acid

C9H15N3O3 — CID 90729396

IUPAC(3R,5S)-5-(2-oxoimidazolidin-1-yl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CNC[C@@H](N2CCNC2=O)C1
InChIInChI=1S/C9H15N3O3/c13-8(14)6-3-7(5-10-4-6)12-2-1-11-9(12)15/h6-7,10H,1-5H2,(H,11,15)(H,13,14)/t6-,7+/m1/s1
InChIKeyIPKYQEBEHPGXTP-RQJHMYQMSA-N
MW213.24 g/mol
LogP-0.93
Rot. Bonds2

About (3R,5S)-5-(2-oxoimidazolidin-1-yl)piperidine-3-carboxylic acid

(3R,5S)-5-(2-oxoimidazolidin-1-yl)piperidine-3-carboxylic acid (PubChem CID 90729396) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is (3R,5S)-5-(2-oxoimidazolidin-1-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,5S)-5-(2-oxoimidazolidin-1-yl)piperidine-3-carboxylic acid
PubChem CID90729396
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name(3R,5S)-5-(2-oxoimidazolidin-1-yl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CNC[C@@H](N2CCNC2=O)C1
InChIInChI=1S/C9H15N3O3/c13-8(14)6-3-7(5-10-4-6)12-2-1-11-9(12)15/h6-7,10H,1-5H2,(H,11,15)(H,13,14)/t6-,7+/m1/s1
InChIKeyIPKYQEBEHPGXTP-RQJHMYQMSA-N
XLogP-0.93
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (3R,5S)-5-(2-oxoimidazolidin-1-yl)piperidine-3-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

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-(2-oxoimidazolidin-1-yl)piperidine-3-carboxylic acid?
The IUPAC name of (3R,5S)-5-(2-oxoimidazolidin-1-yl)piperidine-3-carboxylic acid (CID 90729396) is (3R,5S)-5-(2-oxoimidazolidin-1-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R,5S)-5-(2-oxoimidazolidin-1-yl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R,5S)-5-(2-oxoimidazolidin-1-yl)piperidine-3-carboxylic acid is O=C(O)[C@H]1CNC[C@@H](N2CCNC2=O)C1.
What is the InChIKey of (3R,5S)-5-(2-oxoimidazolidin-1-yl)piperidine-3-carboxylic acid?
The InChIKey is IPKYQEBEHPGXTP-RQJHMYQMSA-N. The full InChI is InChI=1S/C9H15N3O3/c13-8(14)6-3-7(5-10-4-6)12-2-1-11-9(12)15/h6-7,10H,1-5H2,(H,11,15)(H,13,14)/t6-,7+/m1/s1.
What are the key properties of (3R,5S)-5-(2-oxoimidazolidin-1-yl)piperidine-3-carboxylic acid?
(3R,5S)-5-(2-oxoimidazolidin-1-yl)piperidine-3-carboxylic acid has a molecular weight of 213.24 g/mol, XLogP of -0.93, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-(2-oxoimidazolidin-1-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 90729396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).