(2S,4R,5S)-4-amino-N,N,1-trimethyl-5-phenylpyrrolidine-2-carboxamide

C14H21N3O — CID 110138641

IUPAC(2S,4R,5S)-4-amino-N,N,1-trimethyl-5-phenylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)[C@@H]1C[C@@H](N)[C@H](c2ccccc2)N1C
InChIInChI=1S/C14H21N3O/c1-16(2)14(18)12-9-11(15)13(17(12)3)10-7-5-4-6-8-10/h4-8,11-13H,9,15H2,1-3H3/t11-,12+,13+/m1/s1
InChIKeyCQMOMUAMMASFQH-AGIUHOORSA-N
MW247.34 g/mol
LogP0.85
Rot. Bonds2

About (2S,4R,5S)-4-amino-N,N,1-trimethyl-5-phenylpyrrolidine-2-carboxamide

(2S,4R,5S)-4-amino-N,N,1-trimethyl-5-phenylpyrrolidine-2-carboxamide (PubChem CID 110138641) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (2S,4R,5S)-4-amino-N,N,1-trimethyl-5-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R,5S)-4-amino-N,N,1-trimethyl-5-phenylpyrrolidine-2-carboxamide
PubChem CID110138641
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(2S,4R,5S)-4-amino-N,N,1-trimethyl-5-phenylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)[C@@H]1C[C@@H](N)[C@H](c2ccccc2)N1C
InChIInChI=1S/C14H21N3O/c1-16(2)14(18)12-9-11(15)13(17(12)3)10-7-5-4-6-8-10/h4-8,11-13H,9,15H2,1-3H3/t11-,12+,13+/m1/s1
InChIKeyCQMOMUAMMASFQH-AGIUHOORSA-N
XLogP0.85
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,4R,5S)-4-amino-N,N,1-trimethyl-5-phenylpyrrolidine-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,5S)-4-amino-N,N,1-trimethyl-5-phenylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R,5S)-4-amino-N,N,1-trimethyl-5-phenylpyrrolidine-2-carboxamide (CID 110138641) is (2S,4R,5S)-4-amino-N,N,1-trimethyl-5-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R,5S)-4-amino-N,N,1-trimethyl-5-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R,5S)-4-amino-N,N,1-trimethyl-5-phenylpyrrolidine-2-carboxamide is CN(C)C(=O)[C@@H]1C[C@@H](N)[C@H](c2ccccc2)N1C.
What is the InChIKey of (2S,4R,5S)-4-amino-N,N,1-trimethyl-5-phenylpyrrolidine-2-carboxamide?
The InChIKey is CQMOMUAMMASFQH-AGIUHOORSA-N. The full InChI is InChI=1S/C14H21N3O/c1-16(2)14(18)12-9-11(15)13(17(12)3)10-7-5-4-6-8-10/h4-8,11-13H,9,15H2,1-3H3/t11-,12+,13+/m1/s1.
What are the key properties of (2S,4R,5S)-4-amino-N,N,1-trimethyl-5-phenylpyrrolidine-2-carboxamide?
(2S,4R,5S)-4-amino-N,N,1-trimethyl-5-phenylpyrrolidine-2-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5S)-4-amino-N,N,1-trimethyl-5-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 110138641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).