2-(3-methoxy-3-methylazetidin-1-yl)-2-oxoacetohydrazide

C7H13N3O3 — CID 131091735

IUPAC2-(3-methoxy-3-methylazetidin-1-yl)-2-oxoacetohydrazide
SMILESCOC1(C)CN(C(=O)C(=O)NN)C1
InChIInChI=1S/C7H13N3O3/c1-7(13-2)3-10(4-7)6(12)5(11)9-8/h3-4,8H2,1-2H3,(H,9,11)
InChIKeyUDQYQRJDIHHHAH-UHFFFAOYSA-N
MW187.20 g/mol
LogP-1.78
Rot. Bonds1

About 2-(3-methoxy-3-methylazetidin-1-yl)-2-oxoacetohydrazide

2-(3-methoxy-3-methylazetidin-1-yl)-2-oxoacetohydrazide (PubChem CID 131091735) has the molecular formula C7H13N3O3 and a molecular weight of 187.20 g/mol. Its IUPAC name is 2-(3-methoxy-3-methylazetidin-1-yl)-2-oxoacetohydrazide.

Molecular Properties

Compound Name2-(3-methoxy-3-methylazetidin-1-yl)-2-oxoacetohydrazide
PubChem CID131091735
Molecular FormulaC7H13N3O3
Molecular Weight187.20 g/mol
Exact Mass187.10
IUPAC Name2-(3-methoxy-3-methylazetidin-1-yl)-2-oxoacetohydrazide
SMILESCOC1(C)CN(C(=O)C(=O)NN)C1
InChIInChI=1S/C7H13N3O3/c1-7(13-2)3-10(4-7)6(12)5(11)9-8/h3-4,8H2,1-2H3,(H,9,11)
InChIKeyUDQYQRJDIHHHAH-UHFFFAOYSA-N
XLogP-1.78
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 5-1.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-3-methylpiperidine-1-carbohydrazide
CID 107394148
2-(4-methylpiperazin-1-yl)-2-oxoacetohydrazide
CID 2760035
tert-butyl 3-methoxy-3-methylazetidine-1-carboxylate
CID 58530249
N'-hydroxy-3-methoxy-3-methylazetidine-1-carboximidamide
CID 127006782
1-(2-hydrazinyl-2-oxoacetyl)azetidine-3-carboxamide
CID 131114882
3-[(3-methoxy-3-methylazetidine-1-carbonyl)amino]propanoic acid
CID 122017931
N-benzyl-3-methoxy-3-methylazetidine-1-carboxamide
CID 130941448
(1-aminocyclopentyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392358
3-(3-methoxy-3-methylpiperidin-1-yl)propanehydrazide
CID 107395837
2-amino-3,3,3-trifluoro-1-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 107392341
(2-chloro-1,3-thiazol-4-yl)-(3-methoxy-3-methylazetidin-1-yl)methanone
CID 164646354
1-(4-methoxy-4-methylpiperidin-1-yl)ethanone
CID 70641350

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-3-methylazetidin-1-yl)-2-oxoacetohydrazide?
The IUPAC name of 2-(3-methoxy-3-methylazetidin-1-yl)-2-oxoacetohydrazide (CID 131091735) is 2-(3-methoxy-3-methylazetidin-1-yl)-2-oxoacetohydrazide.
What is the SMILES notation for 2-(3-methoxy-3-methylazetidin-1-yl)-2-oxoacetohydrazide?
The canonical SMILES for 2-(3-methoxy-3-methylazetidin-1-yl)-2-oxoacetohydrazide is COC1(C)CN(C(=O)C(=O)NN)C1.
What is the InChIKey of 2-(3-methoxy-3-methylazetidin-1-yl)-2-oxoacetohydrazide?
The InChIKey is UDQYQRJDIHHHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3/c1-7(13-2)3-10(4-7)6(12)5(11)9-8/h3-4,8H2,1-2H3,(H,9,11).
What are the key properties of 2-(3-methoxy-3-methylazetidin-1-yl)-2-oxoacetohydrazide?
2-(3-methoxy-3-methylazetidin-1-yl)-2-oxoacetohydrazide has a molecular weight of 187.20 g/mol, XLogP of -1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-3-methylazetidin-1-yl)-2-oxoacetohydrazide is sourced from PubChem (CID 131091735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).