(2R)-2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-1-one

C12H24N2O — CID 104903172

IUPAC(2R)-2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-1-one
SMILESCCC1CCCN1C(=O)[C@H](N)CC(C)C
InChIInChI=1S/C12H24N2O/c1-4-10-6-5-7-14(10)12(15)11(13)8-9(2)3/h9-11H,4-8,13H2,1-3H3/t10?,11-/m1/s1
InChIKeyINHTWBNUMUQDLA-RRKGBCIJSA-N
MW212.34 g/mol
LogP1.76
Rot. Bonds4

About (2R)-2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-1-one

(2R)-2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-1-one (PubChem CID 104903172) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (2R)-2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-1-one
PubChem CID104903172
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(2R)-2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-1-one
SMILESCCC1CCCN1C(=O)[C@H](N)CC(C)C
InChIInChI=1S/C12H24N2O/c1-4-10-6-5-7-14(10)12(15)11(13)8-9(2)3/h9-11H,4-8,13H2,1-3H3/t10?,11-/m1/s1
InChIKeyINHTWBNUMUQDLA-RRKGBCIJSA-N
XLogP1.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.76
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
(2S)-2-amino-1-(2-ethylazepan-1-yl)-4-methylpentan-1-one
CID 103832803
2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 61409806
(2S)-2-amino-1-[2-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 61155952
(2R)-2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 104903407
(2R)-2-amino-1-(2-ethylpyrrolidin-1-yl)-3-methylbutan-1-one
CID 79012804
2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methoxybutan-1-one
CID 62472697
(2S)-2-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 61149139
2-amino-1-(2-ethylazepan-1-yl)butan-1-one
CID 115734570
(2R)-2-amino-1-(2,3-dimethylpiperidin-1-yl)-4-methylpentan-1-one
CID 104903392
(2R)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbaldehyde
CID 90727915
methyl 2-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-2-yl]acetate
CID 61156720

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-1-one?
The IUPAC name of (2R)-2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-1-one (CID 104903172) is (2R)-2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-1-one?
The canonical SMILES for (2R)-2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-1-one is CCC1CCCN1C(=O)[C@H](N)CC(C)C.
What is the InChIKey of (2R)-2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-1-one?
The InChIKey is INHTWBNUMUQDLA-RRKGBCIJSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-10-6-5-7-14(10)12(15)11(13)8-9(2)3/h9-11H,4-8,13H2,1-3H3/t10?,11-/m1/s1.
What are the key properties of (2R)-2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-1-one?
(2R)-2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-1-one has a molecular weight of 212.34 g/mol, XLogP of 1.76, 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-(2-ethylpyrrolidin-1-yl)-4-methylpentan-1-one is sourced from PubChem (CID 104903172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).