(2S)-2-amino-3,3-dimethyl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride

C10H21ClN2O — CID 155977944

IUPAC(2S)-2-amino-3,3-dimethyl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride
SMILESCC(C)(C)[C@H](N)C(=O)N1CCCC1.Cl
InChIInChI=1S/C10H20N2O.ClH/c1-10(2,3)8(11)9(13)12-6-4-5-7-12;/h8H,4-7,11H2,1-3H3;1H/t8-;/m1./s1
InChIKeyXAVJUNYLVGULBQ-DDWIOCJRSA-N
MW220.74 g/mol
LogP1.40
Rot. Bonds1

About (2S)-2-amino-3,3-dimethyl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride

(2S)-2-amino-3,3-dimethyl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride (PubChem CID 155977944) has the molecular formula C10H21ClN2O and a molecular weight of 220.74 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride
PubChem CID155977944
Molecular FormulaC10H21ClN2O
Molecular Weight220.74 g/mol
Exact Mass220.13
IUPAC Name(2S)-2-amino-3,3-dimethyl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride
SMILESCC(C)(C)[C@H](N)C(=O)N1CCCC1.Cl
InChIInChI=1S/C10H20N2O.ClH/c1-10(2,3)8(11)9(13)12-6-4-5-7-12;/h8H,4-7,11H2,1-3H3;1H/t8-;/m1./s1
InChIKeyXAVJUNYLVGULBQ-DDWIOCJRSA-N
XLogP1.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.74
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Valine-pyrrolidide
CID 447256
FE-999011
CID 10130510
(2S)-2-amino-N-(cyanomethyl)-N-ethyl-3,3-dimethylbutanamide
CID 10130367
(2S)-2-amino-N-(cyanomethyl)-N,3,3-trimethylbutanamide
CID 23645883
(2S)-2-amino-N-(cyanomethyl)-N-cyclobutyl-3,3-dimethylbutanamide
CID 23645887
(2S)-2-amino-N-[(1S)-1-cyanoethyl]-N,3,3-trimethylbutanamide
CID 23645888
(2S)-2-amino-N-(cyanomethyl)-N-cyclopropyl-3,3-dimethylbutanamide
CID 23645886
2-Amino-3-methyl-1-(1-pyrrolidinyl)-1-butanone
CID 4470972
Tle-boroPro
CID 10704521
(2S)-2-amino-N-butyl-N-(cyanomethyl)-3,3-dimethylbutanamide
CID 23645884
2-Amino-3,3-dimethyl-1-pyrrolidin-1-yl-butan-1-one
CID 61148520
(2S)-2-amino-N-[(1R)-1-cyanoethyl]-N,3,3-trimethylbutanamide
CID 23645889

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride (CID 155977944) is (2S)-2-amino-3,3-dimethyl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride is CC(C)(C)[C@H](N)C(=O)N1CCCC1.Cl.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride?
The InChIKey is XAVJUNYLVGULBQ-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H20N2O.ClH/c1-10(2,3)8(11)9(13)12-6-4-5-7-12;/h8H,4-7,11H2,1-3H3;1H/t8-;/m1./s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride?
(2S)-2-amino-3,3-dimethyl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride has a molecular weight of 220.74 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride is sourced from PubChem (CID 155977944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).