4-[2,2-bis(2-methoxy-2-oxoethyl)hydrazinyl]-4-oxobut-2-enoate

C10H13N2O7- — CID 6998331

IUPAC4-[2,2-bis(2-methoxy-2-oxoethyl)hydrazinyl]-4-oxobut-2-enoate
SMILESCOC(=O)CN(CC(=O)OC)NC(=O)C=CC(=O)[O-]
InChIInChI=1S/C10H14N2O7/c1-18-9(16)5-12(6-10(17)19-2)11-7(13)3-4-8(14)15/h3-4H,5-6H2,1-2H3,(H,11,13)(H,14,15)/p-1
InChIKeyNMVKLGPGOBNKFB-UHFFFAOYSA-M
MW273.22 g/mol
LogP-3.03
Rot. Bonds7

About 4-[2,2-bis(2-methoxy-2-oxoethyl)hydrazinyl]-4-oxobut-2-enoate

4-[2,2-bis(2-methoxy-2-oxoethyl)hydrazinyl]-4-oxobut-2-enoate (PubChem CID 6998331) has the molecular formula C10H13N2O7- and a molecular weight of 273.22 g/mol. Its IUPAC name is 4-[2,2-bis(2-methoxy-2-oxoethyl)hydrazinyl]-4-oxobut-2-enoate.

Molecular Properties

Compound Name4-[2,2-bis(2-methoxy-2-oxoethyl)hydrazinyl]-4-oxobut-2-enoate
PubChem CID6998331
Molecular FormulaC10H13N2O7-
Molecular Weight273.22 g/mol
Exact Mass273.07
IUPAC Name4-[2,2-bis(2-methoxy-2-oxoethyl)hydrazinyl]-4-oxobut-2-enoate
SMILESCOC(=O)CN(CC(=O)OC)NC(=O)C=CC(=O)[O-]
InChIInChI=1S/C10H14N2O7/c1-18-9(16)5-12(6-10(17)19-2)11-7(13)3-4-8(14)15/h3-4H,5-6H2,1-2H3,(H,11,13)(H,14,15)/p-1
InChIKeyNMVKLGPGOBNKFB-UHFFFAOYSA-M
XLogP-3.03
TPSA125.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 5-3.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2,2-bis(2-methoxy-2-oxoethyl)hydrazinyl]-4-oxobut-2-enoate?
The IUPAC name of 4-[2,2-bis(2-methoxy-2-oxoethyl)hydrazinyl]-4-oxobut-2-enoate (CID 6998331) is 4-[2,2-bis(2-methoxy-2-oxoethyl)hydrazinyl]-4-oxobut-2-enoate.
What is the SMILES notation for 4-[2,2-bis(2-methoxy-2-oxoethyl)hydrazinyl]-4-oxobut-2-enoate?
The canonical SMILES for 4-[2,2-bis(2-methoxy-2-oxoethyl)hydrazinyl]-4-oxobut-2-enoate is COC(=O)CN(CC(=O)OC)NC(=O)C=CC(=O)[O-].
What is the InChIKey of 4-[2,2-bis(2-methoxy-2-oxoethyl)hydrazinyl]-4-oxobut-2-enoate?
The InChIKey is NMVKLGPGOBNKFB-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H14N2O7/c1-18-9(16)5-12(6-10(17)19-2)11-7(13)3-4-8(14)15/h3-4H,5-6H2,1-2H3,(H,11,13)(H,14,15)/p-1.
What are the key properties of 4-[2,2-bis(2-methoxy-2-oxoethyl)hydrazinyl]-4-oxobut-2-enoate?
4-[2,2-bis(2-methoxy-2-oxoethyl)hydrazinyl]-4-oxobut-2-enoate has a molecular weight of 273.22 g/mol, XLogP of -3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-bis(2-methoxy-2-oxoethyl)hydrazinyl]-4-oxobut-2-enoate is sourced from PubChem (CID 6998331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).