(2R)-2-amino-1-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-3-hydroxy-2-methylpropan-1-one;ethane

C13H28N2O2 — CID 144942226

IUPAC(2R)-2-amino-1-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-3-hydroxy-2-methylpropan-1-one;ethane
SMILESCC.CC[C@@]1(C)CCN(C(=O)[C@](C)(N)CO)C1
InChIInChI=1S/C11H22N2O2.C2H6/c1-4-10(2)5-6-13(7-10)9(15)11(3,12)8-14;1-2/h14H,4-8,12H2,1-3H3;1-2H3/t10-,11+;/m0./s1
InChIKeyONCQETSHGYCTMG-VZXYPILPSA-N
MW244.38 g/mol
LogP1.37
Rot. Bonds3

About (2R)-2-amino-1-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-3-hydroxy-2-methylpropan-1-one;ethane

(2R)-2-amino-1-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-3-hydroxy-2-methylpropan-1-one;ethane (PubChem CID 144942226) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is (2R)-2-amino-1-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-3-hydroxy-2-methylpropan-1-one;ethane.

Molecular Properties

Compound Name(2R)-2-amino-1-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-3-hydroxy-2-methylpropan-1-one;ethane
PubChem CID144942226
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name(2R)-2-amino-1-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-3-hydroxy-2-methylpropan-1-one;ethane
SMILESCC.CC[C@@]1(C)CCN(C(=O)[C@](C)(N)CO)C1
InChIInChI=1S/C11H22N2O2.C2H6/c1-4-10(2)5-6-13(7-10)9(15)11(3,12)8-14;1-2/h14H,4-8,12H2,1-3H3;1-2H3/t10-,11+;/m0./s1
InChIKeyONCQETSHGYCTMG-VZXYPILPSA-N
XLogP1.37
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-amino-1-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-3-hydroxy-2-methylpropan-1-one;ethane with MolForge

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Related Compounds

2-amino-1-[(3R)-3-ethyl-3-methylpyrrolidin-1-yl]-2-methylpropan-1-one
CID 118447158
azetidin-1-yl-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]methanone
CID 118447951
[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 144942209
2-amino-1-(3,3-dimethylpiperidin-1-yl)-2-methylbutan-1-one
CID 79811127
[(1R)-2,2-difluorocyclopropyl]-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]methanone
CID 147863064
2-(aminomethyl)-1-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutan-1-one
CID 114290679
3-(4-ethyl-4-methylpiperidin-1-yl)-2,2-dimethyl-3-oxopropanenitrile
CID 62734025
2-amino-1-(3-ethyl-3-methylpyrrolidin-1-yl)-3-methoxypropan-1-one;hydrochloride
CID 120992499
N-tert-butyl-4-ethyl-4-methylpiperidine-1-carboxamide
CID 115695093
tert-butyl (3R)-3-(aminomethyl)-3-methylpyrrolidine-1-carboxylate
CID 96566504
1-(3-ethyl-3-methylpiperidin-1-yl)propan-1-one
CID 127370172
2-amino-1-(2,2-dimethylthiomorpholin-4-yl)-2-methylpentan-1-one;hydrochloride
CID 119791877

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-3-hydroxy-2-methylpropan-1-one;ethane?
The IUPAC name of (2R)-2-amino-1-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-3-hydroxy-2-methylpropan-1-one;ethane (CID 144942226) is (2R)-2-amino-1-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-3-hydroxy-2-methylpropan-1-one;ethane.
What is the SMILES notation for (2R)-2-amino-1-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-3-hydroxy-2-methylpropan-1-one;ethane?
The canonical SMILES for (2R)-2-amino-1-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-3-hydroxy-2-methylpropan-1-one;ethane is CC.CC[C@@]1(C)CCN(C(=O)[C@](C)(N)CO)C1.
What is the InChIKey of (2R)-2-amino-1-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-3-hydroxy-2-methylpropan-1-one;ethane?
The InChIKey is ONCQETSHGYCTMG-VZXYPILPSA-N. The full InChI is InChI=1S/C11H22N2O2.C2H6/c1-4-10(2)5-6-13(7-10)9(15)11(3,12)8-14;1-2/h14H,4-8,12H2,1-3H3;1-2H3/t10-,11+;/m0./s1.
What are the key properties of (2R)-2-amino-1-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-3-hydroxy-2-methylpropan-1-one;ethane?
(2R)-2-amino-1-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-3-hydroxy-2-methylpropan-1-one;ethane has a molecular weight of 244.38 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-3-hydroxy-2-methylpropan-1-one;ethane is sourced from PubChem (CID 144942226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).