(2R)-N-[(2R)-2-methoxy-3-methylbutyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide

C14H25N5O2 — CID 124735945

IUPAC(2R)-N-[(2R)-2-methoxy-3-methylbutyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
SMILESCO[C@@H](CNC(=O)N1CCC[C@@H]1c1nncn1C)C(C)C
InChIInChI=1S/C14H25N5O2/c1-10(2)12(21-4)8-15-14(20)19-7-5-6-11(19)13-17-16-9-18(13)3/h9-12H,5-8H2,1-4H3,(H,15,20)/t11-,12+/m1/s1
InChIKeyOGGZAPLGCHVVEM-NEPJUHHUSA-N
MW295.39 g/mol
LogP1.33
Rot. Bonds5

About (2R)-N-[(2R)-2-methoxy-3-methylbutyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide

(2R)-N-[(2R)-2-methoxy-3-methylbutyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide (PubChem CID 124735945) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is (2R)-N-[(2R)-2-methoxy-3-methylbutyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2R)-2-methoxy-3-methylbutyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
PubChem CID124735945
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name(2R)-N-[(2R)-2-methoxy-3-methylbutyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
SMILESCO[C@@H](CNC(=O)N1CCC[C@@H]1c1nncn1C)C(C)C
InChIInChI=1S/C14H25N5O2/c1-10(2)12(21-4)8-15-14(20)19-7-5-6-11(19)13-17-16-9-18(13)3/h9-12H,5-8H2,1-4H3,(H,15,20)/t11-,12+/m1/s1
InChIKeyOGGZAPLGCHVVEM-NEPJUHHUSA-N
XLogP1.33
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[(2R)-2-methoxy-3-methylbutyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-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 (2R)-N-[(2R)-2-methoxy-3-methylbutyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-[(2R)-2-methoxy-3-methylbutyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide (CID 124735945) is (2R)-N-[(2R)-2-methoxy-3-methylbutyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[(2R)-2-methoxy-3-methylbutyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-[(2R)-2-methoxy-3-methylbutyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide is CO[C@@H](CNC(=O)N1CCC[C@@H]1c1nncn1C)C(C)C.
What is the InChIKey of (2R)-N-[(2R)-2-methoxy-3-methylbutyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is OGGZAPLGCHVVEM-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-10(2)12(21-4)8-15-14(20)19-7-5-6-11(19)13-17-16-9-18(13)3/h9-12H,5-8H2,1-4H3,(H,15,20)/t11-,12+/m1/s1.
What are the key properties of (2R)-N-[(2R)-2-methoxy-3-methylbutyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide?
(2R)-N-[(2R)-2-methoxy-3-methylbutyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R)-2-methoxy-3-methylbutyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 124735945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).