(2R)-2-(hydroxymethyl)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]pyrrolidine-1-carboxamide

C13H26N2O3 — CID 95968241

IUPAC(2R)-2-(hydroxymethyl)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]pyrrolidine-1-carboxamide
SMILESCOC(C)(C)C[C@H](C)NC(=O)N1CCC[C@@H]1CO
InChIInChI=1S/C13H26N2O3/c1-10(8-13(2,3)18-4)14-12(17)15-7-5-6-11(15)9-16/h10-11,16H,5-9H2,1-4H3,(H,14,17)/t10-,11+/m0/s1
InChIKeyDHSMQKAMGCIZEO-WDEREUQCSA-N
MW258.36 g/mol
LogP1.36
Rot. Bonds5

About (2R)-2-(hydroxymethyl)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]pyrrolidine-1-carboxamide

(2R)-2-(hydroxymethyl)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]pyrrolidine-1-carboxamide (PubChem CID 95968241) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is (2R)-2-(hydroxymethyl)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(hydroxymethyl)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]pyrrolidine-1-carboxamide
PubChem CID95968241
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name(2R)-2-(hydroxymethyl)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]pyrrolidine-1-carboxamide
SMILESCOC(C)(C)C[C@H](C)NC(=O)N1CCC[C@@H]1CO
InChIInChI=1S/C13H26N2O3/c1-10(8-13(2,3)18-4)14-12(17)15-7-5-6-11(15)9-16/h10-11,16H,5-9H2,1-4H3,(H,14,17)/t10-,11+/m0/s1
InChIKeyDHSMQKAMGCIZEO-WDEREUQCSA-N
XLogP1.36
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(hydroxymethyl)-N-[(2S)-4-methoxy-4-methylpentan-2-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)-2-(hydroxymethyl)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-(hydroxymethyl)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]pyrrolidine-1-carboxamide (CID 95968241) is (2R)-2-(hydroxymethyl)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(hydroxymethyl)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-(hydroxymethyl)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]pyrrolidine-1-carboxamide is COC(C)(C)C[C@H](C)NC(=O)N1CCC[C@@H]1CO.
What is the InChIKey of (2R)-2-(hydroxymethyl)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is DHSMQKAMGCIZEO-WDEREUQCSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-10(8-13(2,3)18-4)14-12(17)15-7-5-6-11(15)9-16/h10-11,16H,5-9H2,1-4H3,(H,14,17)/t10-,11+/m0/s1.
What are the key properties of (2R)-2-(hydroxymethyl)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]pyrrolidine-1-carboxamide?
(2R)-2-(hydroxymethyl)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(hydroxymethyl)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 95968241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).