(2S)-N-[(1R,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]pyrrolidine-2-carboxamide

C13H20F3N3O2 — CID 11977382

IUPAC(2S)-N-[(1R,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]pyrrolidine-2-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1NC(=O)C(F)(F)F)[C@@H]1CCCN1
InChIInChI=1S/C13H20F3N3O2/c14-13(15,16)12(21)19-9-5-2-1-4-8(9)18-11(20)10-6-3-7-17-10/h8-10,17H,1-7H2,(H,18,20)(H,19,21)/t8-,9-,10+/m1/s1
InChIKeyGUCMELUQBWQVFE-BBBLOLIVSA-N
MW307.32 g/mol
LogP0.84
Rot. Bonds3

About (2S)-N-[(1R,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]pyrrolidine-2-carboxamide

(2S)-N-[(1R,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]pyrrolidine-2-carboxamide (PubChem CID 11977382) has the molecular formula C13H20F3N3O2 and a molecular weight of 307.32 g/mol. Its IUPAC name is (2S)-N-[(1R,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1R,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]pyrrolidine-2-carboxamide
PubChem CID11977382
Molecular FormulaC13H20F3N3O2
Molecular Weight307.32 g/mol
Exact Mass307.15
IUPAC Name(2S)-N-[(1R,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]pyrrolidine-2-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1NC(=O)C(F)(F)F)[C@@H]1CCCN1
InChIInChI=1S/C13H20F3N3O2/c14-13(15,16)12(21)19-9-5-2-1-4-8(9)18-11(20)10-6-3-7-17-10/h8-10,17H,1-7H2,(H,18,20)(H,19,21)/t8-,9-,10+/m1/s1
InChIKeyGUCMELUQBWQVFE-BBBLOLIVSA-N
XLogP0.84
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[(1R,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]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)-N-[(1R,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(1R,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]pyrrolidine-2-carboxamide (CID 11977382) is (2S)-N-[(1R,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(1R,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(1R,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]pyrrolidine-2-carboxamide is O=C(N[C@@H]1CCCC[C@H]1NC(=O)C(F)(F)F)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[(1R,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]pyrrolidine-2-carboxamide?
The InChIKey is GUCMELUQBWQVFE-BBBLOLIVSA-N. The full InChI is InChI=1S/C13H20F3N3O2/c14-13(15,16)12(21)19-9-5-2-1-4-8(9)18-11(20)10-6-3-7-17-10/h8-10,17H,1-7H2,(H,18,20)(H,19,21)/t8-,9-,10+/m1/s1.
What are the key properties of (2S)-N-[(1R,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]pyrrolidine-2-carboxamide?
(2S)-N-[(1R,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]pyrrolidine-2-carboxamide has a molecular weight of 307.32 g/mol, XLogP of 0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 11977382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).