(2R)-2-amino-1-(2-ethylpyrrolidin-1-yl)-3-methylbutan-1-one

C11H22N2O — CID 79012804

IUPAC(2R)-2-amino-1-(2-ethylpyrrolidin-1-yl)-3-methylbutan-1-one
SMILESCCC1CCCN1C(=O)[C@H](N)C(C)C
InChIInChI=1S/C11H22N2O/c1-4-9-6-5-7-13(9)11(14)10(12)8(2)3/h8-10H,4-7,12H2,1-3H3/t9?,10-/m1/s1
InChIKeyFGMGBLPIFYDVAF-QVDQXJPCSA-N
MW198.31 g/mol
LogP1.37
Rot. Bonds3

About (2R)-2-amino-1-(2-ethylpyrrolidin-1-yl)-3-methylbutan-1-one

(2R)-2-amino-1-(2-ethylpyrrolidin-1-yl)-3-methylbutan-1-one (PubChem CID 79012804) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (2R)-2-amino-1-(2-ethylpyrrolidin-1-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(2-ethylpyrrolidin-1-yl)-3-methylbutan-1-one
PubChem CID79012804
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(2R)-2-amino-1-(2-ethylpyrrolidin-1-yl)-3-methylbutan-1-one
SMILESCCC1CCCN1C(=O)[C@H](N)C(C)C
InChIInChI=1S/C11H22N2O/c1-4-9-6-5-7-13(9)11(14)10(12)8(2)3/h8-10H,4-7,12H2,1-3H3/t9?,10-/m1/s1
InChIKeyFGMGBLPIFYDVAF-QVDQXJPCSA-N
XLogP1.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-ethylazepan-1-yl)-3-methylbutan-1-one
CID 104689769
(2R)-2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 79013261
(2R)-2-amino-1-[2-(hydroxymethyl)azepan-1-yl]-3-methylbutan-1-one
CID 104891495
(2S)-2-amino-1-(2-ethylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 61165533
(2S)-2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-1-one
CID 61165353
(2R)-2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-1-one
CID 104903172
2-amino-3-methyl-1-[2-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]butan-1-one
CID 77144333
(2S)-2-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 61149140
4-amino-1-(2-ethylpyrrolidin-1-yl)-2-methylbutan-1-one
CID 80543143
1-(2-ethylpiperidin-1-yl)-3-methyl-2-sulfanylbutan-1-one
CID 107022382
1-(2-ethylazepan-1-yl)-3-methyl-2-sulfanylbutan-1-one
CID 107034891
2-amino-1-(2-ethylazepan-1-yl)butan-1-one
CID 115734570

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(2-ethylpyrrolidin-1-yl)-3-methylbutan-1-one?
The IUPAC name of (2R)-2-amino-1-(2-ethylpyrrolidin-1-yl)-3-methylbutan-1-one (CID 79012804) is (2R)-2-amino-1-(2-ethylpyrrolidin-1-yl)-3-methylbutan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(2-ethylpyrrolidin-1-yl)-3-methylbutan-1-one?
The canonical SMILES for (2R)-2-amino-1-(2-ethylpyrrolidin-1-yl)-3-methylbutan-1-one is CCC1CCCN1C(=O)[C@H](N)C(C)C.
What is the InChIKey of (2R)-2-amino-1-(2-ethylpyrrolidin-1-yl)-3-methylbutan-1-one?
The InChIKey is FGMGBLPIFYDVAF-QVDQXJPCSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-9-6-5-7-13(9)11(14)10(12)8(2)3/h8-10H,4-7,12H2,1-3H3/t9?,10-/m1/s1.
What are the key properties of (2R)-2-amino-1-(2-ethylpyrrolidin-1-yl)-3-methylbutan-1-one?
(2R)-2-amino-1-(2-ethylpyrrolidin-1-yl)-3-methylbutan-1-one has a molecular weight of 198.31 g/mol, XLogP of 1.37, 3 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-ethylpyrrolidin-1-yl)-3-methylbutan-1-one is sourced from PubChem (CID 79012804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).