(2S)-N-(2-cyanoethyl)-N-cyclopropylpyrrolidine-2-carboxamide

C11H17N3O — CID 61157251

IUPAC(2S)-N-(2-cyanoethyl)-N-cyclopropylpyrrolidine-2-carboxamide
SMILESN#CCCN(C(=O)[C@@H]1CCCN1)C1CC1
InChIInChI=1S/C11H17N3O/c12-6-2-8-14(9-4-5-9)11(15)10-3-1-7-13-10/h9-10,13H,1-5,7-8H2/t10-/m0/s1
InChIKeyZOYXAPXNXAFDFQ-JTQLQIEISA-N
MW207.28 g/mol
LogP0.64
Rot. Bonds4

About (2S)-N-(2-cyanoethyl)-N-cyclopropylpyrrolidine-2-carboxamide

(2S)-N-(2-cyanoethyl)-N-cyclopropylpyrrolidine-2-carboxamide (PubChem CID 61157251) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (2S)-N-(2-cyanoethyl)-N-cyclopropylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-cyanoethyl)-N-cyclopropylpyrrolidine-2-carboxamide
PubChem CID61157251
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(2S)-N-(2-cyanoethyl)-N-cyclopropylpyrrolidine-2-carboxamide
SMILESN#CCCN(C(=O)[C@@H]1CCCN1)C1CC1
InChIInChI=1S/C11H17N3O/c12-6-2-8-14(9-4-5-9)11(15)10-3-1-7-13-10/h9-10,13H,1-5,7-8H2/t10-/m0/s1
InChIKeyZOYXAPXNXAFDFQ-JTQLQIEISA-N
XLogP0.64
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-(2-cyanoethyl)-N-cyclopropylpyrrolidine-2-carboxamide 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

N-(2-cyanoethyl)-N-cyclopropylazepane-2-carboxamide
CID 64563457
(2S)-N,N-bis(2-cyanoethyl)pyrrolidine-2-carboxamide
CID 61164015
N-(2-cyanoethyl)-N-cyclopropylthiomorpholine-3-carboxamide
CID 82909072
N-(2-cyanoethyl)-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 63286424
N-(2-cyanoethyl)-N-cyclopropylpiperidine-4-carboxamide
CID 61039700
(2R)-N-cyclopropyl-N-(cyclopropylmethyl)pyrrolidine-2-carboxamide
CID 103796354
2-[cyclopentyl(pyrrolidine-2-carbonyl)amino]acetic acid
CID 61159569
(2R)-N-cyclopentyl-N-(2-hydroxyethyl)piperidine-2-carboxamide
CID 104913462
(2S)-N-butyl-N-cyclopropylpiperidine-2-carboxamide
CID 104913351
(2S)-N-(2-cyanoethyl)-N-(2-methylpropyl)piperidine-2-carboxamide
CID 93375201
(2S)-N-cyclopropyl-N-(3-methylbutyl)piperidine-2-carboxamide
CID 93369841
(3R)-N-(2-cyanoethyl)-N-cyclopropyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61157625

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-cyanoethyl)-N-cyclopropylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(2-cyanoethyl)-N-cyclopropylpyrrolidine-2-carboxamide (CID 61157251) is (2S)-N-(2-cyanoethyl)-N-cyclopropylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-cyanoethyl)-N-cyclopropylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2-cyanoethyl)-N-cyclopropylpyrrolidine-2-carboxamide is N#CCCN(C(=O)[C@@H]1CCCN1)C1CC1.
What is the InChIKey of (2S)-N-(2-cyanoethyl)-N-cyclopropylpyrrolidine-2-carboxamide?
The InChIKey is ZOYXAPXNXAFDFQ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17N3O/c12-6-2-8-14(9-4-5-9)11(15)10-3-1-7-13-10/h9-10,13H,1-5,7-8H2/t10-/m0/s1.
What are the key properties of (2S)-N-(2-cyanoethyl)-N-cyclopropylpyrrolidine-2-carboxamide?
(2S)-N-(2-cyanoethyl)-N-cyclopropylpyrrolidine-2-carboxamide has a molecular weight of 207.28 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-cyanoethyl)-N-cyclopropylpyrrolidine-2-carboxamide is sourced from PubChem (CID 61157251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).