(3S)-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid

C11H18N2O3 — CID 81125629

IUPAC(3S)-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C(=O)[C@@H]2CCCN2)C1
InChIInChI=1S/C11H18N2O3/c14-10(9-4-1-5-12-9)13-6-2-3-8(7-13)11(15)16/h8-9,12H,1-7H2,(H,15,16)/t8-,9-/m0/s1
InChIKeyWZLZFYVEXSPESC-IUCAKERBSA-N
MW226.28 g/mol
LogP0.06
Rot. Bonds2

About (3S)-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid

(3S)-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid (PubChem CID 81125629) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is (3S)-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid
PubChem CID81125629
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name(3S)-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C(=O)[C@@H]2CCCN2)C1
InChIInChI=1S/C11H18N2O3/c14-10(9-4-1-5-12-9)13-6-2-3-8(7-13)11(15)16/h8-9,12H,1-7H2,(H,15,16)/t8-,9-/m0/s1
InChIKeyWZLZFYVEXSPESC-IUCAKERBSA-N
XLogP0.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-1-[(2S)-pyrrolidine-2-carbonyl]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

Related Compounds

1-(pyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 10081902
1-(azepane-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 64568956
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
1-(azocane-2-carbonyl)azetidine-3-carboxylic acid
CID 114240179
(3R)-1-(3-methylpiperidine-2-carbonyl)piperidine-3-carboxylic acid
CID 107068398
N-propan-2-yl-1-[(2R)-pyrrolidine-2-carbonyl]piperidine-3-carboxamide
CID 53015059
azepan-1-yl(azepan-2-yl)methanone
CID 64562203
azepan-1-yl-[(2R)-piperidin-2-yl]methanone
CID 7183049
(3-methylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 56831888
N-(cyclopropylmethyl)-1-(pyrrolidine-2-carbonyl)piperidine-3-carboxamide
CID 119289774
azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119676414
azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119669545

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid (CID 81125629) is (3S)-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid is O=C(O)[C@H]1CCCN(C(=O)[C@@H]2CCCN2)C1.
What is the InChIKey of (3S)-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid?
The InChIKey is WZLZFYVEXSPESC-IUCAKERBSA-N. The full InChI is InChI=1S/C11H18N2O3/c14-10(9-4-1-5-12-9)13-6-2-3-8(7-13)11(15)16/h8-9,12H,1-7H2,(H,15,16)/t8-,9-/m0/s1.
What are the key properties of (3S)-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid?
(3S)-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid has a molecular weight of 226.28 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81125629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).