(2S)-2-amino-1-(3-ethylpyrrolidin-1-yl)-4-methylpentan-1-one

C12H24N2O — CID 103812979

IUPAC(2S)-2-amino-1-(3-ethylpyrrolidin-1-yl)-4-methylpentan-1-one
SMILESCCC1CCN(C(=O)[C@@H](N)CC(C)C)C1
InChIInChI=1S/C12H24N2O/c1-4-10-5-6-14(8-10)12(15)11(13)7-9(2)3/h9-11H,4-8,13H2,1-3H3/t10?,11-/m0/s1
InChIKeyHGZSGGSVGCNECP-DTIOYNMSSA-N
MW212.34 g/mol
LogP1.62
Rot. Bonds4

About (2S)-2-amino-1-(3-ethylpyrrolidin-1-yl)-4-methylpentan-1-one

(2S)-2-amino-1-(3-ethylpyrrolidin-1-yl)-4-methylpentan-1-one (PubChem CID 103812979) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (2S)-2-amino-1-(3-ethylpyrrolidin-1-yl)-4-methylpentan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(3-ethylpyrrolidin-1-yl)-4-methylpentan-1-one
PubChem CID103812979
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(2S)-2-amino-1-(3-ethylpyrrolidin-1-yl)-4-methylpentan-1-one
SMILESCCC1CCN(C(=O)[C@@H](N)CC(C)C)C1
InChIInChI=1S/C12H24N2O/c1-4-10-5-6-14(8-10)12(15)11(13)7-9(2)3/h9-11H,4-8,13H2,1-3H3/t10?,11-/m0/s1
InChIKeyHGZSGGSVGCNECP-DTIOYNMSSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-1-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 64596670
(2S)-2-amino-4-methyl-1-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]pentan-1-one
CID 119895957
1-[(2S)-2-amino-4-methylpentanoyl]piperidine-3,4-dicarboxylic acid
CID 103931165
(2S)-2-amino-1-[4-(ethylaminomethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 122080878
(2S)-2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 61155100
(2S)-2-amino-1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 118427491
(2S)-2-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]-4-methylpentan-1-one;dihydrochloride
CID 119032049
2-amino-1-[3-(2-methylpropyl)pyrrolidin-1-yl]pentan-1-one;hydrochloride
CID 119322626
2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)-4-methylpentan-1-one
CID 102957127
(2S)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-methylpentan-1-one;dihydrochloride
CID 119852066
3-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]propanoic acid
CID 62215529
2-amino-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-1-one;hydrochloride
CID 47003200

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(3-ethylpyrrolidin-1-yl)-4-methylpentan-1-one?
The IUPAC name of (2S)-2-amino-1-(3-ethylpyrrolidin-1-yl)-4-methylpentan-1-one (CID 103812979) is (2S)-2-amino-1-(3-ethylpyrrolidin-1-yl)-4-methylpentan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(3-ethylpyrrolidin-1-yl)-4-methylpentan-1-one?
The canonical SMILES for (2S)-2-amino-1-(3-ethylpyrrolidin-1-yl)-4-methylpentan-1-one is CCC1CCN(C(=O)[C@@H](N)CC(C)C)C1.
What is the InChIKey of (2S)-2-amino-1-(3-ethylpyrrolidin-1-yl)-4-methylpentan-1-one?
The InChIKey is HGZSGGSVGCNECP-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-10-5-6-14(8-10)12(15)11(13)7-9(2)3/h9-11H,4-8,13H2,1-3H3/t10?,11-/m0/s1.
What are the key properties of (2S)-2-amino-1-(3-ethylpyrrolidin-1-yl)-4-methylpentan-1-one?
(2S)-2-amino-1-(3-ethylpyrrolidin-1-yl)-4-methylpentan-1-one has a molecular weight of 212.34 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(3-ethylpyrrolidin-1-yl)-4-methylpentan-1-one is sourced from PubChem (CID 103812979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).