(2S)-2-amino-1-(3-ethyl-3-hydroxyazetidin-1-yl)-3-methylpentan-1-one

C11H22N2O2 — CID 107219570

IUPAC(2S)-2-amino-1-(3-ethyl-3-hydroxyazetidin-1-yl)-3-methylpentan-1-one
SMILESCCC(C)[C@H](N)C(=O)N1CC(O)(CC)C1
InChIInChI=1S/C11H22N2O2/c1-4-8(3)9(12)10(14)13-6-11(15,5-2)7-13/h8-9,15H,4-7,12H2,1-3H3/t8?,9-/m0/s1
InChIKeyFTWYUIWTKINXKG-GKAPJAKFSA-N
MW214.31 g/mol
LogP0.34
Rot. Bonds4

About (2S)-2-amino-1-(3-ethyl-3-hydroxyazetidin-1-yl)-3-methylpentan-1-one

(2S)-2-amino-1-(3-ethyl-3-hydroxyazetidin-1-yl)-3-methylpentan-1-one (PubChem CID 107219570) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (2S)-2-amino-1-(3-ethyl-3-hydroxyazetidin-1-yl)-3-methylpentan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(3-ethyl-3-hydroxyazetidin-1-yl)-3-methylpentan-1-one
PubChem CID107219570
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(2S)-2-amino-1-(3-ethyl-3-hydroxyazetidin-1-yl)-3-methylpentan-1-one
SMILESCCC(C)[C@H](N)C(=O)N1CC(O)(CC)C1
InChIInChI=1S/C11H22N2O2/c1-4-8(3)9(12)10(14)13-6-11(15,5-2)7-13/h8-9,15H,4-7,12H2,1-3H3/t8?,9-/m0/s1
InChIKeyFTWYUIWTKINXKG-GKAPJAKFSA-N
XLogP0.34
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-3-methylpentan-1-one
CID 107219842
(2S)-2-amino-3-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)pentan-1-one
CID 102743783
(2S,3S)-2-amino-1-[4-[(2S,3S)-2-amino-3-methylpentanoyl]piperazin-1-yl]-3-methylpentan-1-one
CID 10667783
(2S,3S)-2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methylpentan-1-one
CID 63160102
3-amino-4-(3-ethyl-3-hydroxyazetidin-1-yl)-4-oxobutanoic acid
CID 107219711
(2S,3S)-2-amino-1-(3-hydroxyazetidin-1-yl)-3-methylpentan-1-one
CID 103950797
ethyl 4-(2-amino-3-methylpentanoyl)piperazine-1-carboxylate
CID 61041155
1-[(2S)-2-amino-3-methylpentanoyl]-3-ethylpiperidine-3-carboxylic acid
CID 55164336
2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-3-methylpentan-1-one;hydrochloride
CID 119784774
2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3-methylpentan-1-one
CID 62931087
2-amino-1-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-3-methylpentan-1-one;hydrochloride
CID 119794424
(2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-3-methylpentan-1-one
CID 61430696

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(3-ethyl-3-hydroxyazetidin-1-yl)-3-methylpentan-1-one?
The IUPAC name of (2S)-2-amino-1-(3-ethyl-3-hydroxyazetidin-1-yl)-3-methylpentan-1-one (CID 107219570) is (2S)-2-amino-1-(3-ethyl-3-hydroxyazetidin-1-yl)-3-methylpentan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(3-ethyl-3-hydroxyazetidin-1-yl)-3-methylpentan-1-one?
The canonical SMILES for (2S)-2-amino-1-(3-ethyl-3-hydroxyazetidin-1-yl)-3-methylpentan-1-one is CCC(C)[C@H](N)C(=O)N1CC(O)(CC)C1.
What is the InChIKey of (2S)-2-amino-1-(3-ethyl-3-hydroxyazetidin-1-yl)-3-methylpentan-1-one?
The InChIKey is FTWYUIWTKINXKG-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-8(3)9(12)10(14)13-6-11(15,5-2)7-13/h8-9,15H,4-7,12H2,1-3H3/t8?,9-/m0/s1.
What are the key properties of (2S)-2-amino-1-(3-ethyl-3-hydroxyazetidin-1-yl)-3-methylpentan-1-one?
(2S)-2-amino-1-(3-ethyl-3-hydroxyazetidin-1-yl)-3-methylpentan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(3-ethyl-3-hydroxyazetidin-1-yl)-3-methylpentan-1-one is sourced from PubChem (CID 107219570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).