N-(3-hydroxy-3-methylbutyl)-1-methylpyrrolidine-2-carboxamide

C11H22N2O2 — CID 130257130

IUPACN-(3-hydroxy-3-methylbutyl)-1-methylpyrrolidine-2-carboxamide
SMILESCN1CCCC1C(=O)NCCC(C)(C)O
InChIInChI=1S/C11H22N2O2/c1-11(2,15)6-7-12-10(14)9-5-4-8-13(9)3/h9,15H,4-8H2,1-3H3,(H,12,14)
InChIKeyUKUGDFXSANOWSZ-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.36
Rot. Bonds4

About N-(3-hydroxy-3-methylbutyl)-1-methylpyrrolidine-2-carboxamide

N-(3-hydroxy-3-methylbutyl)-1-methylpyrrolidine-2-carboxamide (PubChem CID 130257130) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-(3-hydroxy-3-methylbutyl)-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-methylbutyl)-1-methylpyrrolidine-2-carboxamide
PubChem CID130257130
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-(3-hydroxy-3-methylbutyl)-1-methylpyrrolidine-2-carboxamide
SMILESCN1CCCC1C(=O)NCCC(C)(C)O
InChIInChI=1S/C11H22N2O2/c1-11(2,15)6-7-12-10(14)9-5-4-8-13(9)3/h9,15H,4-8H2,1-3H3,(H,12,14)
InChIKeyUKUGDFXSANOWSZ-UHFFFAOYSA-N
XLogP0.36
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-methyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide
CID 139684981
N-[2-(dimethylamino)ethyl]-1-methylpyrrolidine-2-carboxamide;ethane
CID 143685494
N-butyl-1-methylpyrrolidine-2-carboxamide;ethane;formaldehyde
CID 142213067
1-methyl-N-pent-4-ynylpyrrolidine-2-carboxamide
CID 143354246
(2S)-1-methylpyrrolidine-2-carbohydrazide
CID 12522151
4-[(1-methylpiperidine-2-carbonyl)amino]butanoic acid
CID 110837340
(2R)-N-[3-[(1S,2R)-2-hydroxycyclohexyl]propyl]-1-methylpyrrolidine-2-carboxamide
CID 124857791
(2R)-N-acetyl-1-methylpyrrolidine-2-carboxamide
CID 90115350
N-(2-adamantylmethyl)-1-methylpyrrolidine-2-carboxamide
CID 136518757
1-methyl-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 137202849
(2R)-N-methoxy-1-methylpyrrolidine-2-carboxamide
CID 87416878
(2S)-1-methyl-N-[3-(1,2,4-triazol-4-yl)propyl]azepane-2-carboxamide
CID 97209651

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-methylbutyl)-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-(3-hydroxy-3-methylbutyl)-1-methylpyrrolidine-2-carboxamide (CID 130257130) is N-(3-hydroxy-3-methylbutyl)-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-hydroxy-3-methylbutyl)-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-hydroxy-3-methylbutyl)-1-methylpyrrolidine-2-carboxamide is CN1CCCC1C(=O)NCCC(C)(C)O.
What is the InChIKey of N-(3-hydroxy-3-methylbutyl)-1-methylpyrrolidine-2-carboxamide?
The InChIKey is UKUGDFXSANOWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(2,15)6-7-12-10(14)9-5-4-8-13(9)3/h9,15H,4-8H2,1-3H3,(H,12,14).
What are the key properties of N-(3-hydroxy-3-methylbutyl)-1-methylpyrrolidine-2-carboxamide?
N-(3-hydroxy-3-methylbutyl)-1-methylpyrrolidine-2-carboxamide has a molecular weight of 214.31 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-methylbutyl)-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 130257130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).