methyl (2Z)-2-[(2-ethoxy-2-oxoethyl)hydrazinylidene]propanoate

C8H14N2O4 — CID 5371688

IUPACmethyl (2Z)-2-[(2-ethoxy-2-oxoethyl)hydrazinylidene]propanoate
SMILESCCOC(=O)CN/N=C(/C)C(=O)OC
InChIInChI=1S/C8H14N2O4/c1-4-14-7(11)5-9-10-6(2)8(12)13-3/h9H,4-5H2,1-3H3/b10-6-
InChIKeyLUTKYZDYXBRIQQ-POHAHGRESA-N
MW202.21 g/mol
LogP-0.31
Rot. Bonds5

About methyl (2Z)-2-[(2-ethoxy-2-oxoethyl)hydrazinylidene]propanoate

methyl (2Z)-2-[(2-ethoxy-2-oxoethyl)hydrazinylidene]propanoate (PubChem CID 5371688) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is methyl (2Z)-2-[(2-ethoxy-2-oxoethyl)hydrazinylidene]propanoate.

Molecular Properties

Compound Namemethyl (2Z)-2-[(2-ethoxy-2-oxoethyl)hydrazinylidene]propanoate
PubChem CID5371688
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Namemethyl (2Z)-2-[(2-ethoxy-2-oxoethyl)hydrazinylidene]propanoate
SMILESCCOC(=O)CN/N=C(/C)C(=O)OC
InChIInChI=1S/C8H14N2O4/c1-4-14-7(11)5-9-10-6(2)8(12)13-3/h9H,4-5H2,1-3H3/b10-6-
InChIKeyLUTKYZDYXBRIQQ-POHAHGRESA-N
XLogP-0.31
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
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

methyl (2E)-2-(ethoxycarbonylhydrazinylidene)propanoate
CID 121226690
ethyl 3-[(2E)-2-(1-ethoxy-1-oxopropan-2-ylidene)hydrazinyl]-3-oxopropanoate
CID 87585640
4-O-ethyl 1-O-methyl butanedioate
CID 522068
ethyl 2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]acetate
CID 177496938
(2-ethoxy-2-oxoethyl)carbamic acid
CID 18800943
4-O-ethyl 1-O-methyl 2-methylidenebutanedioate
CID 12527732
ethyl (3E)-3-(carbamoylhydrazinylidene)butanoate
CID 5385390
ethyl 3-(ethoxycarbonylhydrazinylidene)butanoate
CID 566543
diethyl propanedioate;3-O-ethyl 1-O-methyl propanedioate
CID 91497468
ethyl 2-(carbamoyl(15N)amino)acetate
CID 46781708
ethyl 2-(1-chloroethylamino)acetate
CID 123739956
diethyl propanedioate;titanium
CID 174779178

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-[(2-ethoxy-2-oxoethyl)hydrazinylidene]propanoate?
The IUPAC name of methyl (2Z)-2-[(2-ethoxy-2-oxoethyl)hydrazinylidene]propanoate (CID 5371688) is methyl (2Z)-2-[(2-ethoxy-2-oxoethyl)hydrazinylidene]propanoate.
What is the SMILES notation for methyl (2Z)-2-[(2-ethoxy-2-oxoethyl)hydrazinylidene]propanoate?
The canonical SMILES for methyl (2Z)-2-[(2-ethoxy-2-oxoethyl)hydrazinylidene]propanoate is CCOC(=O)CN/N=C(/C)C(=O)OC.
What is the InChIKey of methyl (2Z)-2-[(2-ethoxy-2-oxoethyl)hydrazinylidene]propanoate?
The InChIKey is LUTKYZDYXBRIQQ-POHAHGRESA-N. The full InChI is InChI=1S/C8H14N2O4/c1-4-14-7(11)5-9-10-6(2)8(12)13-3/h9H,4-5H2,1-3H3/b10-6-.
What are the key properties of methyl (2Z)-2-[(2-ethoxy-2-oxoethyl)hydrazinylidene]propanoate?
methyl (2Z)-2-[(2-ethoxy-2-oxoethyl)hydrazinylidene]propanoate has a molecular weight of 202.21 g/mol, XLogP of -0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-[(2-ethoxy-2-oxoethyl)hydrazinylidene]propanoate is sourced from PubChem (CID 5371688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).