methyl (2Z)-2-methoxyiminopropanoate

C5H9NO3 — CID 5371809

IUPACmethyl (2Z)-2-methoxyiminopropanoate
SMILESCO/N=C(/C)C(=O)OC
InChIInChI=1S/C5H9NO3/c1-4(6-9-3)5(7)8-2/h1-3H3/b6-4-
InChIKeyBCGGGYPDAARXDJ-XQRVVYSFSA-N
MW131.13 g/mol
LogP0.18
Rot. Bonds2

About methyl (2Z)-2-methoxyiminopropanoate

methyl (2Z)-2-methoxyiminopropanoate (PubChem CID 5371809) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is methyl (2Z)-2-methoxyiminopropanoate.

Molecular Properties

Compound Namemethyl (2Z)-2-methoxyiminopropanoate
PubChem CID5371809
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Namemethyl (2Z)-2-methoxyiminopropanoate
SMILESCO/N=C(/C)C(=O)OC
InChIInChI=1S/C5H9NO3/c1-4(6-9-3)5(7)8-2/h1-3H3/b6-4-
InChIKeyBCGGGYPDAARXDJ-XQRVVYSFSA-N
XLogP0.18
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Ethyl 2-hydroxyiminopropionate
CID 9614318
Methyl 2-(hydroxyimino)propanoate
CID 9602163
Ethyl-2-hydroxyiminopropionate
CID 6399798
ethyl (2Z)-2-hydroxyiminopropanoate
CID 6405273
propan-2-one O-acetyl oxime
CID 2795071
O-Isobutyrylacetoxime
CID 11804873
2-Propanone, O-(1-oxobutyl)oxime
CID 14828944
Methyl imino-propionate
CID 16184516
Methyl 2-hydroxyiminopropanoate
CID 71435832
Acetoneoxime acetate
CID 129689585
Acetoxime isobutyrate
CID 129695371
fluoromethyl (2E)-2-methoxyiminopropanoate
CID 89098176

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-methoxyiminopropanoate?
The IUPAC name of methyl (2Z)-2-methoxyiminopropanoate (CID 5371809) is methyl (2Z)-2-methoxyiminopropanoate.
What is the SMILES notation for methyl (2Z)-2-methoxyiminopropanoate?
The canonical SMILES for methyl (2Z)-2-methoxyiminopropanoate is CO/N=C(/C)C(=O)OC.
What is the InChIKey of methyl (2Z)-2-methoxyiminopropanoate?
The InChIKey is BCGGGYPDAARXDJ-XQRVVYSFSA-N. The full InChI is InChI=1S/C5H9NO3/c1-4(6-9-3)5(7)8-2/h1-3H3/b6-4-.
What are the key properties of methyl (2Z)-2-methoxyiminopropanoate?
methyl (2Z)-2-methoxyiminopropanoate has a molecular weight of 131.13 g/mol, XLogP of 0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-methoxyiminopropanoate is sourced from PubChem (CID 5371809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).