(2R)-2-amino-1-[(2S)-2-ethyl-4-methylpyrrolidin-1-yl]-4-methylpentan-1-one

C13H26N2O — CID 143509162

IUPAC(2R)-2-amino-1-[(2S)-2-ethyl-4-methylpyrrolidin-1-yl]-4-methylpentan-1-one
SMILESCC[C@H]1CC(C)CN1C(=O)[C@H](N)CC(C)C
InChIInChI=1S/C13H26N2O/c1-5-11-7-10(4)8-15(11)13(16)12(14)6-9(2)3/h9-12H,5-8,14H2,1-4H3/t10?,11-,12+/m0/s1
InChIKeySUPVKIVBMGIXIQ-GLXQMMQGSA-N
MW226.36 g/mol
LogP2.01
Rot. Bonds4

About (2R)-2-amino-1-[(2S)-2-ethyl-4-methylpyrrolidin-1-yl]-4-methylpentan-1-one

(2R)-2-amino-1-[(2S)-2-ethyl-4-methylpyrrolidin-1-yl]-4-methylpentan-1-one (PubChem CID 143509162) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is (2R)-2-amino-1-[(2S)-2-ethyl-4-methylpyrrolidin-1-yl]-4-methylpentan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[(2S)-2-ethyl-4-methylpyrrolidin-1-yl]-4-methylpentan-1-one
PubChem CID143509162
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name(2R)-2-amino-1-[(2S)-2-ethyl-4-methylpyrrolidin-1-yl]-4-methylpentan-1-one
SMILESCC[C@H]1CC(C)CN1C(=O)[C@H](N)CC(C)C
InChIInChI=1S/C13H26N2O/c1-5-11-7-10(4)8-15(11)13(16)12(14)6-9(2)3/h9-12H,5-8,14H2,1-4H3/t10?,11-,12+/m0/s1
InChIKeySUPVKIVBMGIXIQ-GLXQMMQGSA-N
XLogP2.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(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
(2S)-2-amino-1-(2-ethylazepan-1-yl)-4-methylpentan-1-one
CID 103832803
2-amino-1-(2,4-dimethylpiperidin-1-yl)-4-methylpentan-1-one
CID 62331604
2-methyl-1-[4-methyl-2-(2-methylpropyl)pyrrolidin-1-yl]propan-1-one
CID 147250143
propan-2-yl 2-ethyl-4-methylpyrrolidine-1-carboxylate
CID 143813112
2-amino-1-(2,4-dimethylpyrrolidin-1-yl)butan-1-one
CID 115734693
1-(2-ethyl-4-methylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one
CID 131036550
(2S)-2-amino-1-[(2R,3S)-2,3-dimethylpyrrolidin-1-yl]-4-methylpentan-1-one
CID 124681873
1-[(2S)-2-amino-4-methylpentanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61158430
(2S)-2-amino-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-4-methylpentan-1-one;dihydrochloride
CID 119836743
2-(2-ethyl-4-methylpyrrolidin-1-yl)propanamide
CID 130855809

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[(2S)-2-ethyl-4-methylpyrrolidin-1-yl]-4-methylpentan-1-one?
The IUPAC name of (2R)-2-amino-1-[(2S)-2-ethyl-4-methylpyrrolidin-1-yl]-4-methylpentan-1-one (CID 143509162) is (2R)-2-amino-1-[(2S)-2-ethyl-4-methylpyrrolidin-1-yl]-4-methylpentan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[(2S)-2-ethyl-4-methylpyrrolidin-1-yl]-4-methylpentan-1-one?
The canonical SMILES for (2R)-2-amino-1-[(2S)-2-ethyl-4-methylpyrrolidin-1-yl]-4-methylpentan-1-one is CC[C@H]1CC(C)CN1C(=O)[C@H](N)CC(C)C.
What is the InChIKey of (2R)-2-amino-1-[(2S)-2-ethyl-4-methylpyrrolidin-1-yl]-4-methylpentan-1-one?
The InChIKey is SUPVKIVBMGIXIQ-GLXQMMQGSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-11-7-10(4)8-15(11)13(16)12(14)6-9(2)3/h9-12H,5-8,14H2,1-4H3/t10?,11-,12+/m0/s1.
What are the key properties of (2R)-2-amino-1-[(2S)-2-ethyl-4-methylpyrrolidin-1-yl]-4-methylpentan-1-one?
(2R)-2-amino-1-[(2S)-2-ethyl-4-methylpyrrolidin-1-yl]-4-methylpentan-1-one has a molecular weight of 226.36 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[(2S)-2-ethyl-4-methylpyrrolidin-1-yl]-4-methylpentan-1-one is sourced from PubChem (CID 143509162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).