(2S,4R)-4-amino-1-(2-cyclopentylacetyl)-N,N-diethylpyrrolidine-2-carboxamide

C16H29N3O2 — CID 56714197

IUPAC(2S,4R)-4-amino-1-(2-cyclopentylacetyl)-N,N-diethylpyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1C(=O)CC1CCCC1
InChIInChI=1S/C16H29N3O2/c1-3-18(4-2)16(21)14-10-13(17)11-19(14)15(20)9-12-7-5-6-8-12/h12-14H,3-11,17H2,1-2H3/t13-,14+/m1/s1
InChIKeyKTWJWFXATSXLBG-KGLIPLIRSA-N
MW295.43 g/mol
LogP1.36
Rot. Bonds5

About (2S,4R)-4-amino-1-(2-cyclopentylacetyl)-N,N-diethylpyrrolidine-2-carboxamide

(2S,4R)-4-amino-1-(2-cyclopentylacetyl)-N,N-diethylpyrrolidine-2-carboxamide (PubChem CID 56714197) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is (2S,4R)-4-amino-1-(2-cyclopentylacetyl)-N,N-diethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-1-(2-cyclopentylacetyl)-N,N-diethylpyrrolidine-2-carboxamide
PubChem CID56714197
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name(2S,4R)-4-amino-1-(2-cyclopentylacetyl)-N,N-diethylpyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1C(=O)CC1CCCC1
InChIInChI=1S/C16H29N3O2/c1-3-18(4-2)16(21)14-10-13(17)11-19(14)15(20)9-12-7-5-6-8-12/h12-14H,3-11,17H2,1-2H3/t13-,14+/m1/s1
InChIKeyKTWJWFXATSXLBG-KGLIPLIRSA-N
XLogP1.36
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,4R)-4-amino-1-(2-cyclopentylacetyl)-N,N-diethylpyrrolidine-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,4R)-4-amino-1-(2-cyclopentylacetyl)-N,N-diethylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-1-(2-cyclopentylacetyl)-N,N-diethylpyrrolidine-2-carboxamide (CID 56714197) is (2S,4R)-4-amino-1-(2-cyclopentylacetyl)-N,N-diethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-1-(2-cyclopentylacetyl)-N,N-diethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-1-(2-cyclopentylacetyl)-N,N-diethylpyrrolidine-2-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1C(=O)CC1CCCC1.
What is the InChIKey of (2S,4R)-4-amino-1-(2-cyclopentylacetyl)-N,N-diethylpyrrolidine-2-carboxamide?
The InChIKey is KTWJWFXATSXLBG-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-3-18(4-2)16(21)14-10-13(17)11-19(14)15(20)9-12-7-5-6-8-12/h12-14H,3-11,17H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of (2S,4R)-4-amino-1-(2-cyclopentylacetyl)-N,N-diethylpyrrolidine-2-carboxamide?
(2S,4R)-4-amino-1-(2-cyclopentylacetyl)-N,N-diethylpyrrolidine-2-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-1-(2-cyclopentylacetyl)-N,N-diethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56714197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).