methyl 2-[2-(cyclobutylideneamino)oxyacetyl]oxyacetate

C9H13NO5 — CID 20668277

IUPACmethyl 2-[2-(cyclobutylideneamino)oxyacetyl]oxyacetate
SMILESCOC(=O)COC(=O)CON=C1CCC1
InChIInChI=1S/C9H13NO5/c1-13-8(11)5-14-9(12)6-15-10-7-3-2-4-7/h2-6H2,1H3
InChIKeyFMRHRAQHJQKVAQ-UHFFFAOYSA-N
MW215.20 g/mol
LogP0.26
Rot. Bonds5

About methyl 2-[2-(cyclobutylideneamino)oxyacetyl]oxyacetate

methyl 2-[2-(cyclobutylideneamino)oxyacetyl]oxyacetate (PubChem CID 20668277) has the molecular formula C9H13NO5 and a molecular weight of 215.20 g/mol. Its IUPAC name is methyl 2-[2-(cyclobutylideneamino)oxyacetyl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[2-(cyclobutylideneamino)oxyacetyl]oxyacetate
PubChem CID20668277
Molecular FormulaC9H13NO5
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Namemethyl 2-[2-(cyclobutylideneamino)oxyacetyl]oxyacetate
SMILESCOC(=O)COC(=O)CON=C1CCC1
InChIInChI=1S/C9H13NO5/c1-13-8(11)5-14-9(12)6-15-10-7-3-2-4-7/h2-6H2,1H3
InChIKeyFMRHRAQHJQKVAQ-UHFFFAOYSA-N
XLogP0.26
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(cyclohexylideneamino)oxyacetamide
CID 126990706
methyl 2-[2-(propan-2-ylideneamino)oxyacetyl]oxyacetate;vanadium
CID 158046922
methyl 2-[(3-oxocyclohexylidene)amino]acetate
CID 123778468
(2-methoxy-2-oxoethyl) 2-aminoacetate
CID 87368434
2-[(4,4-dimethylcycloheptylidene)amino]oxyacetic acid
CID 77055405
1-N,5-N-dimethoxycyclooctane-1,5-diimine
CID 10750478
methyl 2-(4-methoxyiminocyclohexyl)acetate
CID 46236277
(2-methoxy-2-oxoethyl) pyrrolidine-1-carboxylate
CID 118050079
methyl 4-(2-aminoethoxyimino)piperidine-1-carboxylate
CID 58685033
2-[(3-methylcyclohexylidene)amino]oxyacetic acid
CID 77013406
methyl 2-[(E)-[(4S,6E)-16,18-dihydroxy-2-oxo-4-propan-2-yl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-12-ylidene]amino]oxyacetate
CID 24823145
(2-methoxy-2-oxoethyl) 2-methylpropanoate
CID 18740014

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(cyclobutylideneamino)oxyacetyl]oxyacetate?
The IUPAC name of methyl 2-[2-(cyclobutylideneamino)oxyacetyl]oxyacetate (CID 20668277) is methyl 2-[2-(cyclobutylideneamino)oxyacetyl]oxyacetate.
What is the SMILES notation for methyl 2-[2-(cyclobutylideneamino)oxyacetyl]oxyacetate?
The canonical SMILES for methyl 2-[2-(cyclobutylideneamino)oxyacetyl]oxyacetate is COC(=O)COC(=O)CON=C1CCC1.
What is the InChIKey of methyl 2-[2-(cyclobutylideneamino)oxyacetyl]oxyacetate?
The InChIKey is FMRHRAQHJQKVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO5/c1-13-8(11)5-14-9(12)6-15-10-7-3-2-4-7/h2-6H2,1H3.
What are the key properties of methyl 2-[2-(cyclobutylideneamino)oxyacetyl]oxyacetate?
methyl 2-[2-(cyclobutylideneamino)oxyacetyl]oxyacetate has a molecular weight of 215.20 g/mol, XLogP of 0.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(cyclobutylideneamino)oxyacetyl]oxyacetate is sourced from PubChem (CID 20668277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).