(2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-(2-methylpropyl)pyrrolidine-2-carboxamide

C17H31N3O2 — CID 42618130

IUPAC(2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-(2-methylpropyl)pyrrolidine-2-carboxamide
SMILESCC(C)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C1CCCCC1
InChIInChI=1S/C17H31N3O2/c1-12(2)11-19-16(21)14-9-6-10-20(14)17(22)15(18)13-7-4-3-5-8-13/h12-15H,3-11,18H2,1-2H3,(H,19,21)/t14-,15+/m0/s1
InChIKeyZYCVLCRDPVVDBP-LSDHHAIUSA-N
MW309.45 g/mol
LogP1.66
Rot. Bonds5

About (2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-(2-methylpropyl)pyrrolidine-2-carboxamide

(2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-(2-methylpropyl)pyrrolidine-2-carboxamide (PubChem CID 42618130) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is (2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-(2-methylpropyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-(2-methylpropyl)pyrrolidine-2-carboxamide
PubChem CID42618130
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name(2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-(2-methylpropyl)pyrrolidine-2-carboxamide
SMILESCC(C)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C1CCCCC1
InChIInChI=1S/C17H31N3O2/c1-12(2)11-19-16(21)14-9-6-10-20(14)17(22)15(18)13-7-4-3-5-8-13/h12-15H,3-11,18H2,1-2H3,(H,19,21)/t14-,15+/m0/s1
InChIKeyZYCVLCRDPVVDBP-LSDHHAIUSA-N
XLogP1.66
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-(2-methylpropyl)pyrrolidine-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

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-(2-methylpropyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-(2-methylpropyl)pyrrolidine-2-carboxamide (CID 42618130) is (2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-(2-methylpropyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-(2-methylpropyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-(2-methylpropyl)pyrrolidine-2-carboxamide is CC(C)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C1CCCCC1.
What is the InChIKey of (2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-(2-methylpropyl)pyrrolidine-2-carboxamide?
The InChIKey is ZYCVLCRDPVVDBP-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-12(2)11-19-16(21)14-9-6-10-20(14)17(22)15(18)13-7-4-3-5-8-13/h12-15H,3-11,18H2,1-2H3,(H,19,21)/t14-,15+/m0/s1.
What are the key properties of (2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-(2-methylpropyl)pyrrolidine-2-carboxamide?
(2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-(2-methylpropyl)pyrrolidine-2-carboxamide has a molecular weight of 309.45 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-(2-methylpropyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 42618130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).