(2R)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one

C12H24N2O — CID 103929899

IUPAC(2R)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)[C@@H](N)C(=O)N1CCCC1(C)C
InChIInChI=1S/C12H24N2O/c1-11(2,3)9(13)10(15)14-8-6-7-12(14,4)5/h9H,6-8,13H2,1-5H3/t9-/m0/s1
InChIKeyATOZLHZJHKSTSQ-VIFPVBQESA-N
MW212.34 g/mol
LogP1.76
Rot. Bonds1

About (2R)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one

(2R)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one (PubChem CID 103929899) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (2R)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one
PubChem CID103929899
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(2R)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)[C@@H](N)C(=O)N1CCCC1(C)C
InChIInChI=1S/C12H24N2O/c1-11(2,3)9(13)10(15)14-8-6-7-12(14,4)5/h9H,6-8,13H2,1-5H3/t9-/m0/s1
InChIKeyATOZLHZJHKSTSQ-VIFPVBQESA-N
XLogP1.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)-3-methylbutan-1-one
CID 63217403
1-[(2R)-2-amino-3,3-dimethylbutanoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 113353589
(2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)butan-1-one
CID 79022697
(2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)hexan-1-one
CID 103831681
2-(2,2-dimethylpyrrolidine-1-carbonyl)-N'-hydroxy-3-methylbutanimidamide
CID 76987321
(2R)-2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3,3-dimethylbutan-1-one
CID 103929863
1-(2,2-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-one
CID 126750038
2-(tert-butylamino)-1-(2,2-dimethylpyrrolidin-1-yl)ethanone
CID 78925727
tert-butyl 2-(2,2-dimethylpyrrolidin-1-yl)propanoate
CID 64688779
5-(2,2-dimethylpyrrolidin-1-yl)-3,3-dimethyl-5-oxopentanoic acid
CID 63219934
3-amino-2-(2,2-dimethylpyrrolidin-1-yl)propanoic acid
CID 64695632
2-amino-3-(2,2-dimethylpyrrolidin-1-yl)butanoic acid
CID 164657593

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one?
The IUPAC name of (2R)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one (CID 103929899) is (2R)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one?
The canonical SMILES for (2R)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one is CC(C)(C)[C@@H](N)C(=O)N1CCCC1(C)C.
What is the InChIKey of (2R)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one?
The InChIKey is ATOZLHZJHKSTSQ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H24N2O/c1-11(2,3)9(13)10(15)14-8-6-7-12(14,4)5/h9H,6-8,13H2,1-5H3/t9-/m0/s1.
What are the key properties of (2R)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one?
(2R)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one has a molecular weight of 212.34 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one is sourced from PubChem (CID 103929899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).