[(2S)-1-ethoxy-1-oxopentan-2-yl]azanium chloride

C7H16ClNO2 — CID 11194687

IUPAC[(2S)-1-ethoxy-1-oxopentan-2-yl]azanium chloride
SMILESCCC[C@H]([NH3+])C(=O)OCC.[Cl-]
InChIInChI=1S/C7H15NO2.ClH/c1-3-5-6(8)7(9)10-4-2;/h6H,3-5,8H2,1-2H3;1H/t6-;/m0./s1
InChIKeyCHAJBHNQIZAJJM-RGMNGODLSA-N
MW181.66 g/mol
LogP-3.04
Rot. Bonds4

About [(2S)-1-ethoxy-1-oxopentan-2-yl]azanium chloride

[(2S)-1-ethoxy-1-oxopentan-2-yl]azanium chloride (PubChem CID 11194687) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is [(2S)-1-ethoxy-1-oxopentan-2-yl]azanium chloride.

Molecular Properties

Compound Name[(2S)-1-ethoxy-1-oxopentan-2-yl]azanium chloride
PubChem CID11194687
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Name[(2S)-1-ethoxy-1-oxopentan-2-yl]azanium chloride
SMILESCCC[C@H]([NH3+])C(=O)OCC.[Cl-]
InChIInChI=1S/C7H15NO2.ClH/c1-3-5-6(8)7(9)10-4-2;/h6H,3-5,8H2,1-2H3;1H/t6-;/m0./s1
InChIKeyCHAJBHNQIZAJJM-RGMNGODLSA-N
XLogP-3.04
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.66
LogP ≤ 5-3.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2S)-1-ethoxy-1-oxopentan-2-yl]azanium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-1,5-diethoxy-1,5-dioxopentan-2-yl]azanium chloride
CID 10922646
[(2S)-1-ethoxy-4-methyl-1-oxopentan-2-yl]azanium
CID 6994014
(1-ethoxy-3-methylsulfinyl-1-oxopropan-2-yl)azanium chloride
CID 110189849
[(2R)-1-ethoxy-1-oxopropan-2-yl]azanium
CID 6932860
[(2R)-1-oxo-1-phenylmethoxypentan-2-yl]azanium
CID 7350020
ethene;ethyl 2-propylpentanoate
CID 160741230
ethyl 2-ethylbutanoate;λ2-stannane
CID 175348208
[(2S)-5-[[(2S)-1,5-diethoxy-1,5-dioxopentan-2-yl](15N)amino]-1-ethoxy-1,5-dioxopentan-2-yl](15N)azanium bromide
CID 10527217
[(1S)-1-cyano-2-ethoxy-2-oxoethyl]azanium
CID 6955332
diethyl 2-(1-chlorobutyl)propanedioate
CID 174722210
ethyl acetate;tris(2-methylpentane)
CID 173095703
1-O-ethyl 3-O-propyl 2-propylpropanedioate
CID 175366314

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-ethoxy-1-oxopentan-2-yl]azanium chloride?
The IUPAC name of [(2S)-1-ethoxy-1-oxopentan-2-yl]azanium chloride (CID 11194687) is [(2S)-1-ethoxy-1-oxopentan-2-yl]azanium chloride.
What is the SMILES notation for [(2S)-1-ethoxy-1-oxopentan-2-yl]azanium chloride?
The canonical SMILES for [(2S)-1-ethoxy-1-oxopentan-2-yl]azanium chloride is CCC[C@H]([NH3+])C(=O)OCC.[Cl-].
What is the InChIKey of [(2S)-1-ethoxy-1-oxopentan-2-yl]azanium chloride?
The InChIKey is CHAJBHNQIZAJJM-RGMNGODLSA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c1-3-5-6(8)7(9)10-4-2;/h6H,3-5,8H2,1-2H3;1H/t6-;/m0./s1.
What are the key properties of [(2S)-1-ethoxy-1-oxopentan-2-yl]azanium chloride?
[(2S)-1-ethoxy-1-oxopentan-2-yl]azanium chloride has a molecular weight of 181.66 g/mol, XLogP of -3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-ethoxy-1-oxopentan-2-yl]azanium chloride is sourced from PubChem (CID 11194687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).