N-[(4-hydroxypyrrolidin-3-yl)methyl]-2,2-dimethylbutanamide

C11H22N2O2 — CID 120944272

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCC1CNCC1O
InChIInChI=1S/C11H22N2O2/c1-4-11(2,3)10(15)13-6-8-5-12-7-9(8)14/h8-9,12,14H,4-7H2,1-3H3,(H,13,15)
InChIKeyZWUGNQPWIQHDEA-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.12
Rot. Bonds4

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-2,2-dimethylbutanamide

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2,2-dimethylbutanamide (PubChem CID 120944272) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2,2-dimethylbutanamide
PubChem CID120944272
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCC1CNCC1O
InChIInChI=1S/C11H22N2O2/c1-4-11(2,3)10(15)13-6-8-5-12-7-9(8)14/h8-9,12,14H,4-7H2,1-3H3,(H,13,15)
InChIKeyZWUGNQPWIQHDEA-UHFFFAOYSA-N
XLogP0.12
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Xylariamide
CID 102222778
1-[(2S)-2-hydroxy-3-(methylamino)propyl]pyrrolidin-2-one
CID 28408742
N-(2-hydroxy-3-methylbutyl)-3,3-dimethylbutanamide
CID 71916902
(3S,4S)-4-hydroxy-3-methylpyrrolidin-2-one
CID 643118
N-(3-hydroxybutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 64913092
N-(3,3-difluoro-2-hydroxypropyl)-3-methylpyrrolidine-3-carboxamide
CID 103810599
N-(2-hydroxy-3,3-dimethylbutyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 112334592
3-fluoro-N-(3-hydroxybutyl)pyrrolidine-3-carboxamide
CID 112350566
N-(2-hydroxybutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 116239714
N-(2-hydroxy-3-methylbutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 116239921
4,4,4-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]butanamide;hydrochloride
CID 120943839
4,4,4-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]butanamide
CID 120943840

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2,2-dimethylbutanamide?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2,2-dimethylbutanamide (CID 120944272) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2,2-dimethylbutanamide is CCC(C)(C)C(=O)NCC1CNCC1O.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2,2-dimethylbutanamide?
The InChIKey is ZWUGNQPWIQHDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-11(2,3)10(15)13-6-8-5-12-7-9(8)14/h8-9,12,14H,4-7H2,1-3H3,(H,13,15).
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2,2-dimethylbutanamide?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2,2-dimethylbutanamide has a molecular weight of 214.31 g/mol, XLogP of 0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2,2-dimethylbutanamide is sourced from PubChem (CID 120944272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).