(2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)-3-methylbutan-1-one

C11H22N2O — CID 63217403

IUPAC(2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)-3-methylbutan-1-one
SMILESCC(C)[C@H](N)C(=O)N1CCCC1(C)C
InChIInChI=1S/C11H22N2O/c1-8(2)9(12)10(14)13-7-5-6-11(13,3)4/h8-9H,5-7,12H2,1-4H3/t9-/m0/s1
InChIKeyOGYUUHLNUQJFLV-VIFPVBQESA-N
MW198.31 g/mol
LogP1.37
Rot. Bonds2

About (2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)-3-methylbutan-1-one

(2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)-3-methylbutan-1-one (PubChem CID 63217403) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)-3-methylbutan-1-one
PubChem CID63217403
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)-3-methylbutan-1-one
SMILESCC(C)[C@H](N)C(=O)N1CCCC1(C)C
InChIInChI=1S/C11H22N2O/c1-8(2)9(12)10(14)13-7-5-6-11(13,3)4/h8-9H,5-7,12H2,1-4H3/t9-/m0/s1
InChIKeyOGYUUHLNUQJFLV-VIFPVBQESA-N
XLogP1.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 103929899
(2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)butan-1-one
CID 79022697
2-(2,2-dimethylpyrrolidine-1-carbonyl)-N'-hydroxy-3-methylbutanimidamide
CID 76987321
(2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)hexan-1-one
CID 103831681
2-amino-3-(2,2-dimethylpyrrolidin-1-yl)butanoic acid
CID 164657593
2-(2-amino-3-carboxypropanoyl)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 67312423
2-amino-1-(4,4-dimethylpiperidin-1-yl)-3-methylbutan-1-one
CID 62930579
(2S)-1-(2,2-dimethylazetidin-1-yl)-2-hydroxy-3-methylbutan-1-one
CID 131154451
2-amino-1-(8-azaspiro[4.5]decan-8-yl)-3-methylbutan-1-one
CID 63163646
(2R)-2-amino-3-methyl-1-(3,3,4-trimethylpiperazin-1-yl)butan-1-one
CID 79013019
2-amino-1-(6-azaspiro[3.4]octan-6-yl)-3-methylbutan-1-one
CID 119326633
(2S)-2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methylbutan-1-one
CID 63160186

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)-3-methylbutan-1-one?
The IUPAC name of (2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)-3-methylbutan-1-one (CID 63217403) is (2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)-3-methylbutan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)-3-methylbutan-1-one?
The canonical SMILES for (2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)-3-methylbutan-1-one is CC(C)[C@H](N)C(=O)N1CCCC1(C)C.
What is the InChIKey of (2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)-3-methylbutan-1-one?
The InChIKey is OGYUUHLNUQJFLV-VIFPVBQESA-N. The full InChI is InChI=1S/C11H22N2O/c1-8(2)9(12)10(14)13-7-5-6-11(13,3)4/h8-9H,5-7,12H2,1-4H3/t9-/m0/s1.
What are the key properties of (2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)-3-methylbutan-1-one?
(2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)-3-methylbutan-1-one has a molecular weight of 198.31 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)-3-methylbutan-1-one is sourced from PubChem (CID 63217403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).