(2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)butan-1-one

C10H20N2O — CID 79022697

IUPAC(2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)butan-1-one
SMILESCC[C@H](N)C(=O)N1CCCC1(C)C
InChIInChI=1S/C10H20N2O/c1-4-8(11)9(13)12-7-5-6-10(12,2)3/h8H,4-7,11H2,1-3H3/t8-/m0/s1
InChIKeyVZQUWQAZVLZSAG-QMMMGPOBSA-N
MW184.28 g/mol
LogP1.12
Rot. Bonds2

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

(2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)butan-1-one (PubChem CID 79022697) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is (2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)butan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)butan-1-one
PubChem CID79022697
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name(2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)butan-1-one
SMILESCC[C@H](N)C(=O)N1CCCC1(C)C
InChIInChI=1S/C10H20N2O/c1-4-8(11)9(13)12-7-5-6-10(12,2)3/h8H,4-7,11H2,1-3H3/t8-/m0/s1
InChIKeyVZQUWQAZVLZSAG-QMMMGPOBSA-N
XLogP1.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)hexan-1-one
CID 103831681
(2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)-3-methylbutan-1-one
CID 63217403
(2R)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 103929899
(2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)butan-1-one
CID 79022791
(2S)-2-amino-1-(3-hydroxy-3-methylpiperidin-1-yl)butan-1-one
CID 104876680
1-[(2S)-2-aminobutanoyl]-4-methylpiperidine-4-carboxylic acid
CID 79023198
(2R)-2-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)butan-1-one
CID 103356010
2-(2,2-dimethylpyrrolidine-1-carbonyl)-N'-hydroxy-3-methylbutanimidamide
CID 76987321
3-amino-2-(2,2-dimethylpyrrolidin-1-yl)propanoic acid
CID 64695632
(2R)-2-amino-1-[(3R)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]butan-1-one
CID 118444601
2-(2,2-dimethylpyrrolidin-1-yl)pentanoic acid
CID 83041929
1-(4-acetylpiperazin-1-yl)-2-aminobutan-1-one
CID 60893476

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)butan-1-one?
The IUPAC name of (2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)butan-1-one (CID 79022697) is (2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)butan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)butan-1-one?
The canonical SMILES for (2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)butan-1-one is CC[C@H](N)C(=O)N1CCCC1(C)C.
What is the InChIKey of (2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)butan-1-one?
The InChIKey is VZQUWQAZVLZSAG-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20N2O/c1-4-8(11)9(13)12-7-5-6-10(12,2)3/h8H,4-7,11H2,1-3H3/t8-/m0/s1.
What are the key properties of (2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)butan-1-one?
(2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)butan-1-one has a molecular weight of 184.28 g/mol, XLogP of 1.12, 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)butan-1-one is sourced from PubChem (CID 79022697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).