methyl-[2-(methylamino)-2-oxoethyl]azanium

C4H11N2O+ — CID 2463137

IUPACmethyl-[2-(methylamino)-2-oxoethyl]azanium
SMILESCNC(=O)C[NH2+]C
InChIInChI=1S/C4H10N2O/c1-5-3-4(7)6-2/h5H,3H2,1-2H3,(H,6,7)/p+1
InChIKeyNODGJSNKUCVLNN-UHFFFAOYSA-O
MW103.14 g/mol
LogP-2.07
Rot. Bonds2

About methyl-[2-(methylamino)-2-oxoethyl]azanium

methyl-[2-(methylamino)-2-oxoethyl]azanium (PubChem CID 2463137) has the molecular formula C4H11N2O+ and a molecular weight of 103.14 g/mol. Its IUPAC name is methyl-[2-(methylamino)-2-oxoethyl]azanium.

Molecular Properties

Compound Namemethyl-[2-(methylamino)-2-oxoethyl]azanium
PubChem CID2463137
Molecular FormulaC4H11N2O+
Molecular Weight103.14 g/mol
Exact Mass103.09
IUPAC Namemethyl-[2-(methylamino)-2-oxoethyl]azanium
SMILESCNC(=O)C[NH2+]C
InChIInChI=1S/C4H10N2O/c1-5-3-4(7)6-2/h5H,3H2,1-2H3,(H,6,7)/p+1
InChIKeyNODGJSNKUCVLNN-UHFFFAOYSA-O
XLogP-2.07
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.14
LogP ≤ 5-2.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of methyl-[2-(methylamino)-2-oxoethyl]azanium?
The IUPAC name of methyl-[2-(methylamino)-2-oxoethyl]azanium (CID 2463137) is methyl-[2-(methylamino)-2-oxoethyl]azanium.
What is the SMILES notation for methyl-[2-(methylamino)-2-oxoethyl]azanium?
The canonical SMILES for methyl-[2-(methylamino)-2-oxoethyl]azanium is CNC(=O)C[NH2+]C.
What is the InChIKey of methyl-[2-(methylamino)-2-oxoethyl]azanium?
The InChIKey is NODGJSNKUCVLNN-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H10N2O/c1-5-3-4(7)6-2/h5H,3H2,1-2H3,(H,6,7)/p+1.
What are the key properties of methyl-[2-(methylamino)-2-oxoethyl]azanium?
methyl-[2-(methylamino)-2-oxoethyl]azanium has a molecular weight of 103.14 g/mol, XLogP of -2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-(methylamino)-2-oxoethyl]azanium is sourced from PubChem (CID 2463137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).