(2R)-N-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide

C10H20N2O2 — CID 78993815

IUPAC(2R)-N-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCCCCNC(=O)N1CCC[C@@H]1CO
InChIInChI=1S/C10H20N2O2/c1-2-3-6-11-10(14)12-7-4-5-9(12)8-13/h9,13H,2-8H2,1H3,(H,11,14)/t9-/m1/s1
InChIKeyKSWUKYWQUANHJE-SECBINFHSA-N
MW200.28 g/mol
LogP0.95
Rot. Bonds4

About (2R)-N-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide

(2R)-N-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 78993815) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (2R)-N-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID78993815
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(2R)-N-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCCCCNC(=O)N1CCC[C@@H]1CO
InChIInChI=1S/C10H20N2O2/c1-2-3-6-11-10(14)12-7-4-5-9(12)8-13/h9,13H,2-8H2,1H3,(H,11,14)/t9-/m1/s1
InChIKeyKSWUKYWQUANHJE-SECBINFHSA-N
XLogP0.95
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(hydroxymethyl)-N-propylpiperidine-1-carboxamide
CID 43574129
N-(5,5-dimethylhexyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428245
(2S)-2-(hydroxymethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboxamide
CID 111427784
2-[1-(butylcarbamoyl)piperidin-2-yl]acetic acid
CID 61010692
2-(hydroxymethyl)-N-[4-(4-methylpiperidin-1-yl)butyl]pyrrolidine-1-carboxamide
CID 111427923
1-N,2-N-dibutylpyrrolidine-1,2-dicarboxamide
CID 150722678
4-[(2-ethylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 61208817
2-(methoxymethyl)-N-propylpyrrolidine-1-carboxamide
CID 110874580
1-(pentylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61183075
7-[(2-ethylpyrrolidine-1-carbonyl)amino]heptanoic acid
CID 61207841
2-[1-(octadecylcarbamoyl)piperidin-2-yl]ethyl carbamate
CID 18789468
2-(hydroxymethyl)-N-(3-methylbutan-2-yl)pyrrolidine-1-carboxamide
CID 111427710

Frequently Asked Questions

What is the IUPAC name of (2R)-N-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 78993815) is (2R)-N-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide is CCCCNC(=O)N1CCC[C@@H]1CO.
What is the InChIKey of (2R)-N-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is KSWUKYWQUANHJE-SECBINFHSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-2-3-6-11-10(14)12-7-4-5-9(12)8-13/h9,13H,2-8H2,1H3,(H,11,14)/t9-/m1/s1.
What are the key properties of (2R)-N-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
(2R)-N-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 200.28 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 78993815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).