2-[(4-hydroxy-2,2-dimethylbutyl)amino]-1-pyrrolidin-1-ylpropan-1-one

C13H26N2O2 — CID 114149934

IUPAC2-[(4-hydroxy-2,2-dimethylbutyl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(NCC(C)(C)CCO)C(=O)N1CCCC1
InChIInChI=1S/C13H26N2O2/c1-11(12(17)15-7-4-5-8-15)14-10-13(2,3)6-9-16/h11,14,16H,4-10H2,1-3H3
InChIKeyJGWPVCRFWHBGFD-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.00
Rot. Bonds6

About 2-[(4-hydroxy-2,2-dimethylbutyl)amino]-1-pyrrolidin-1-ylpropan-1-one

2-[(4-hydroxy-2,2-dimethylbutyl)amino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 114149934) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[(4-hydroxy-2,2-dimethylbutyl)amino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[(4-hydroxy-2,2-dimethylbutyl)amino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID114149934
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-[(4-hydroxy-2,2-dimethylbutyl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(NCC(C)(C)CCO)C(=O)N1CCCC1
InChIInChI=1S/C13H26N2O2/c1-11(12(17)15-7-4-5-8-15)14-10-13(2,3)6-9-16/h11,14,16H,4-10H2,1-3H3
InChIKeyJGWPVCRFWHBGFD-UHFFFAOYSA-N
XLogP1.00
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(4-hydroxy-2,2-dimethylbutyl)amino]-1-pyrrolidin-1-ylpropan-1-one 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

2-[(5-hydroxy-2,2-dimethylpentyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 106147291
2-[(1-hydroxy-3-methylpentan-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 114154103
1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)propan-1-one
CID 43089165
2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 114164804
2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 114163658
1-(azepan-1-yl)-2-[(2,2-difluoro-3-hydroxypropyl)amino]propan-1-one
CID 106176934
N-[2-methyl-1-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]propan-2-yl]methanesulfonamide
CID 63859159
2-[(4-methoxy-2,2-dimethylbutyl)amino]-1-morpholin-4-ylpropan-1-one
CID 104624292
N-(4-hydroxy-2,2-dimethylbutyl)piperidine-1-carboxamide
CID 103713759
2-(5-hydroxypentylamino)-1-piperidin-1-ylpropan-1-one
CID 113408435
2-[(2-methyl-2-phenylpropyl)amino]-1-piperidin-1-ylpropan-1-one
CID 60988265
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 107852687

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-2,2-dimethylbutyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[(4-hydroxy-2,2-dimethylbutyl)amino]-1-pyrrolidin-1-ylpropan-1-one (CID 114149934) is 2-[(4-hydroxy-2,2-dimethylbutyl)amino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[(4-hydroxy-2,2-dimethylbutyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[(4-hydroxy-2,2-dimethylbutyl)amino]-1-pyrrolidin-1-ylpropan-1-one is CC(NCC(C)(C)CCO)C(=O)N1CCCC1.
What is the InChIKey of 2-[(4-hydroxy-2,2-dimethylbutyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is JGWPVCRFWHBGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11(12(17)15-7-4-5-8-15)14-10-13(2,3)6-9-16/h11,14,16H,4-10H2,1-3H3.
What are the key properties of 2-[(4-hydroxy-2,2-dimethylbutyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
2-[(4-hydroxy-2,2-dimethylbutyl)amino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 242.36 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-2,2-dimethylbutyl)amino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 114149934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).