2-acetyloxyethyl-di((113C)methyl)(15N)azanium

C6H14NO2+ — CID 59502010

IUPAC2-acetyloxyethyl-di((113C)methyl)(15N)azanium
SMILESCC(=O)OCC[15NH+]([13CH3])[13CH3]
InChIInChI=1S/C6H13NO2/c1-6(8)9-5-4-7(2)3/h4-5H2,1-3H3/p+1/i2+1,3+1,7+1
InChIKeyGOLSFPMYASLXJC-QZTPXDJLSA-O
MW135.16 g/mol
LogP-1.31
Rot. Bonds3

About 2-acetyloxyethyl-di((113C)methyl)(15N)azanium

2-acetyloxyethyl-di((113C)methyl)(15N)azanium (PubChem CID 59502010) has the molecular formula C6H14NO2+ and a molecular weight of 135.16 g/mol. Its IUPAC name is 2-acetyloxyethyl-di((113C)methyl)(15N)azanium.

Molecular Properties

Compound Name2-acetyloxyethyl-di((113C)methyl)(15N)azanium
PubChem CID59502010
Molecular FormulaC6H14NO2+
Molecular Weight135.16 g/mol
Exact Mass135.11
IUPAC Name2-acetyloxyethyl-di((113C)methyl)(15N)azanium
SMILESCC(=O)OCC[15NH+]([13CH3])[13CH3]
InChIInChI=1S/C6H13NO2/c1-6(8)9-5-4-7(2)3/h4-5H2,1-3H3/p+1/i2+1,3+1,7+1
InChIKeyGOLSFPMYASLXJC-QZTPXDJLSA-O
XLogP-1.31
TPSA30.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 5-1.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

dimethyl(2-prop-2-enoyloxyethyl)azanium fluoride
CID 87218145
4-[2-(dimethylazaniumyl)ethoxy]-4-oxobutanoate
CID 59133643
11-acetyloxyundecyl acetate
CID 87784419
acetic acid;2-acetyloxyethyl acetate;azane
CID 18969564
bis(2-acetyloxyethyl acetate);amino acetate
CID 87902922
acetyloxymethyl acetate;azane
CID 172795061
CID 158105337
CID 158105337
2-acetyloxyethyl acetate;silyl acetate
CID 173024816
propyl acetate;hydrate
CID 122690555
acetic acid;acetyloxymethyl acetate
CID 175421869
(3-amino-3-oxopropyl) acetate
CID 19981550
CID 158128480
CID 158128480

Frequently Asked Questions

What is the IUPAC name of 2-acetyloxyethyl-di((113C)methyl)(15N)azanium?
The IUPAC name of 2-acetyloxyethyl-di((113C)methyl)(15N)azanium (CID 59502010) is 2-acetyloxyethyl-di((113C)methyl)(15N)azanium.
What is the SMILES notation for 2-acetyloxyethyl-di((113C)methyl)(15N)azanium?
The canonical SMILES for 2-acetyloxyethyl-di((113C)methyl)(15N)azanium is CC(=O)OCC[15NH+]([13CH3])[13CH3].
What is the InChIKey of 2-acetyloxyethyl-di((113C)methyl)(15N)azanium?
The InChIKey is GOLSFPMYASLXJC-QZTPXDJLSA-O. The full InChI is InChI=1S/C6H13NO2/c1-6(8)9-5-4-7(2)3/h4-5H2,1-3H3/p+1/i2+1,3+1,7+1.
What are the key properties of 2-acetyloxyethyl-di((113C)methyl)(15N)azanium?
2-acetyloxyethyl-di((113C)methyl)(15N)azanium has a molecular weight of 135.16 g/mol, XLogP of -1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxyethyl-di((113C)methyl)(15N)azanium is sourced from PubChem (CID 59502010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).