3-(hydroxymethyl)-N-(5-methylhexan-2-yl)pyrrolidine-1-carboxamide

C13H26N2O2 — CID 111443461

IUPAC3-(hydroxymethyl)-N-(5-methylhexan-2-yl)pyrrolidine-1-carboxamide
SMILESCC(C)CCC(C)NC(=O)N1CCC(CO)C1
InChIInChI=1S/C13H26N2O2/c1-10(2)4-5-11(3)14-13(17)15-7-6-12(8-15)9-16/h10-12,16H,4-9H2,1-3H3,(H,14,17)
InChIKeySTESOFTXEKYARO-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.83
Rot. Bonds5

About 3-(hydroxymethyl)-N-(5-methylhexan-2-yl)pyrrolidine-1-carboxamide

3-(hydroxymethyl)-N-(5-methylhexan-2-yl)pyrrolidine-1-carboxamide (PubChem CID 111443461) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-(5-methylhexan-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-(5-methylhexan-2-yl)pyrrolidine-1-carboxamide
PubChem CID111443461
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-(hydroxymethyl)-N-(5-methylhexan-2-yl)pyrrolidine-1-carboxamide
SMILESCC(C)CCC(C)NC(=O)N1CCC(CO)C1
InChIInChI=1S/C13H26N2O2/c1-10(2)4-5-11(3)14-13(17)15-7-6-12(8-15)9-16/h10-12,16H,4-9H2,1-3H3,(H,14,17)
InChIKeySTESOFTXEKYARO-UHFFFAOYSA-N
XLogP1.83
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(hydroxymethyl)-N-(5-methylhexan-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

Related Compounds

3-(hydroxymethyl)-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-1-carboxamide
CID 111444197
4-(hydroxymethyl)-N-(6-methylheptan-2-yl)piperidine-1-carboxamide
CID 110894480
3-(hydroxymethyl)-N-(4-methylpentyl)pyrrolidine-1-carboxamide
CID 111443668
N-(4-cyclohexylbutan-2-yl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111414506
(3R)-N-[(2R)-1-(2,6-dichlorophenyl)propan-2-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 97328185
3-hydroxy-2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 112626765
(2R)-2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 113356014
3-(hydroxymethyl)-N-(3-methylbutan-2-yl)piperidine-1-carboxamide
CID 110882593
(3R)-3-(hydroxymethyl)-N-methoxypyrrolidine-1-carboxamide
CID 130668438
3-(hydroxymethyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]pyrrolidine-1-carboxamide
CID 111443553
(3S)-N-[(2S)-4-ethylsulfanylbutan-2-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95969414
3-[(3-aminopyrrolidine-1-carbonyl)amino]butanoic acid
CID 62067755

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-(5-methylhexan-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-(5-methylhexan-2-yl)pyrrolidine-1-carboxamide (CID 111443461) is 3-(hydroxymethyl)-N-(5-methylhexan-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-(5-methylhexan-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-(5-methylhexan-2-yl)pyrrolidine-1-carboxamide is CC(C)CCC(C)NC(=O)N1CCC(CO)C1.
What is the InChIKey of 3-(hydroxymethyl)-N-(5-methylhexan-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is STESOFTXEKYARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)4-5-11(3)14-13(17)15-7-6-12(8-15)9-16/h10-12,16H,4-9H2,1-3H3,(H,14,17).
What are the key properties of 3-(hydroxymethyl)-N-(5-methylhexan-2-yl)pyrrolidine-1-carboxamide?
3-(hydroxymethyl)-N-(5-methylhexan-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-(5-methylhexan-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 111443461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).