3-methyl-N-[2-(methylamino)-2-oxoethyl]oxetane-3-carboxamide

C8H14N2O3 — CID 130711052

IUPAC3-methyl-N-[2-(methylamino)-2-oxoethyl]oxetane-3-carboxamide
SMILESCNC(=O)CNC(=O)C1(C)COC1
InChIInChI=1S/C8H14N2O3/c1-8(4-13-5-8)7(12)10-3-6(11)9-2/h3-5H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyKCBMPOXZPQLASD-UHFFFAOYSA-N
MW186.21 g/mol
LogP-1.11
Rot. Bonds3

About 3-methyl-N-[2-(methylamino)-2-oxoethyl]oxetane-3-carboxamide

3-methyl-N-[2-(methylamino)-2-oxoethyl]oxetane-3-carboxamide (PubChem CID 130711052) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 3-methyl-N-[2-(methylamino)-2-oxoethyl]oxetane-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(methylamino)-2-oxoethyl]oxetane-3-carboxamide
PubChem CID130711052
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name3-methyl-N-[2-(methylamino)-2-oxoethyl]oxetane-3-carboxamide
SMILESCNC(=O)CNC(=O)C1(C)COC1
InChIInChI=1S/C8H14N2O3/c1-8(4-13-5-8)7(12)10-3-6(11)9-2/h3-5H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyKCBMPOXZPQLASD-UHFFFAOYSA-N
XLogP-1.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[2-(methylamino)-2-oxoethyl]cyclobutane-1-carboxamide
CID 81179179
N-methyl-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]acetamide
CID 144980882
2-amino-1-methyl-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 82766043
3-methyl-N-[2,2,4,4-tetramethyl-3-[(3-methyloxetane-3-carbonyl)amino]cyclobutyl]oxetane-3-carboxamide
CID 127812396
N,3-dimethyloxolane-3-carboxamide
CID 127840773
3-methyl-N-[(2S)-2-morpholin-4-ylpropyl]oxetane-3-carboxamide
CID 129345062
N-[[3-(hydroxymethyl)phenyl]methyl]-3-methyloxetane-3-carboxamide
CID 122559939
N-[2-(4-fluorophenyl)ethyl]-3-methyloxetane-3-carboxamide
CID 146022376
N-[2-(methylamino)-2-oxoethyl]morpholine-4-carboxamide
CID 115575285
2-(1-aminocyclopentyl)-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 64686159
3-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]oxetane-3-carboxamide
CID 137200750
4-methyl-1-[[2-(methylamino)-2-oxoethyl]carbamoyl]piperidine-4-carboxylic acid
CID 63123818

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(methylamino)-2-oxoethyl]oxetane-3-carboxamide?
The IUPAC name of 3-methyl-N-[2-(methylamino)-2-oxoethyl]oxetane-3-carboxamide (CID 130711052) is 3-methyl-N-[2-(methylamino)-2-oxoethyl]oxetane-3-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(methylamino)-2-oxoethyl]oxetane-3-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(methylamino)-2-oxoethyl]oxetane-3-carboxamide is CNC(=O)CNC(=O)C1(C)COC1.
What is the InChIKey of 3-methyl-N-[2-(methylamino)-2-oxoethyl]oxetane-3-carboxamide?
The InChIKey is KCBMPOXZPQLASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-8(4-13-5-8)7(12)10-3-6(11)9-2/h3-5H2,1-2H3,(H,9,11)(H,10,12).
What are the key properties of 3-methyl-N-[2-(methylamino)-2-oxoethyl]oxetane-3-carboxamide?
3-methyl-N-[2-(methylamino)-2-oxoethyl]oxetane-3-carboxamide has a molecular weight of 186.21 g/mol, XLogP of -1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(methylamino)-2-oxoethyl]oxetane-3-carboxamide is sourced from PubChem (CID 130711052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).