(2S)-N-[(1R)-2-amino-1-cyclohexylethyl]-2-cyanopyrrolidine-1-carboxamide

C14H24N4O — CID 44580499

IUPAC(2S)-N-[(1R)-2-amino-1-cyclohexylethyl]-2-cyanopyrrolidine-1-carboxamide
SMILESN#C[C@@H]1CCCN1C(=O)N[C@@H](CN)C1CCCCC1
InChIInChI=1S/C14H24N4O/c15-9-12-7-4-8-18(12)14(19)17-13(10-16)11-5-2-1-3-6-11/h11-13H,1-8,10,16H2,(H,17,19)/t12-,13-/m0/s1
InChIKeyJSBBPBYPNTXUOQ-STQMWFEESA-N
MW264.37 g/mol
LogP1.59
Rot. Bonds3

About (2S)-N-[(1R)-2-amino-1-cyclohexylethyl]-2-cyanopyrrolidine-1-carboxamide

(2S)-N-[(1R)-2-amino-1-cyclohexylethyl]-2-cyanopyrrolidine-1-carboxamide (PubChem CID 44580499) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is (2S)-N-[(1R)-2-amino-1-cyclohexylethyl]-2-cyanopyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-2-amino-1-cyclohexylethyl]-2-cyanopyrrolidine-1-carboxamide
PubChem CID44580499
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name(2S)-N-[(1R)-2-amino-1-cyclohexylethyl]-2-cyanopyrrolidine-1-carboxamide
SMILESN#C[C@@H]1CCCN1C(=O)N[C@@H](CN)C1CCCCC1
InChIInChI=1S/C14H24N4O/c15-9-12-7-4-8-18(12)14(19)17-13(10-16)11-5-2-1-3-6-11/h11-13H,1-8,10,16H2,(H,17,19)/t12-,13-/m0/s1
InChIKeyJSBBPBYPNTXUOQ-STQMWFEESA-N
XLogP1.59
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[(1R)-2-amino-1-cyclohexylethyl]-2-cyanopyrrolidine-1-carboxamide 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 (2S)-N-[(1R)-2-amino-1-cyclohexylethyl]-2-cyanopyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-[(1R)-2-amino-1-cyclohexylethyl]-2-cyanopyrrolidine-1-carboxamide (CID 44580499) is (2S)-N-[(1R)-2-amino-1-cyclohexylethyl]-2-cyanopyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[(1R)-2-amino-1-cyclohexylethyl]-2-cyanopyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-[(1R)-2-amino-1-cyclohexylethyl]-2-cyanopyrrolidine-1-carboxamide is N#C[C@@H]1CCCN1C(=O)N[C@@H](CN)C1CCCCC1.
What is the InChIKey of (2S)-N-[(1R)-2-amino-1-cyclohexylethyl]-2-cyanopyrrolidine-1-carboxamide?
The InChIKey is JSBBPBYPNTXUOQ-STQMWFEESA-N. The full InChI is InChI=1S/C14H24N4O/c15-9-12-7-4-8-18(12)14(19)17-13(10-16)11-5-2-1-3-6-11/h11-13H,1-8,10,16H2,(H,17,19)/t12-,13-/m0/s1.
What are the key properties of (2S)-N-[(1R)-2-amino-1-cyclohexylethyl]-2-cyanopyrrolidine-1-carboxamide?
(2S)-N-[(1R)-2-amino-1-cyclohexylethyl]-2-cyanopyrrolidine-1-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-2-amino-1-cyclohexylethyl]-2-cyanopyrrolidine-1-carboxamide is sourced from PubChem (CID 44580499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).