(E)-4-[2,2-bis(2-methoxy-2-oxoethyl)hydrazinyl]-4-oxobut-2-enoic acid

C10H14N2O7 — CID 6161921

IUPAC(E)-4-[2,2-bis(2-methoxy-2-oxoethyl)hydrazinyl]-4-oxobut-2-enoic acid
SMILESCOC(=O)CN(CC(=O)OC)NC(=O)/C=C/C(=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)/b4-3+
InChIKeyNMVKLGPGOBNKFB-ONEGZZNKSA-N
MW274.23 g/mol
LogP-1.69
Rot. Bonds7

About (E)-4-[2,2-bis(2-methoxy-2-oxoethyl)hydrazinyl]-4-oxobut-2-enoic acid

(E)-4-[2,2-bis(2-methoxy-2-oxoethyl)hydrazinyl]-4-oxobut-2-enoic acid (PubChem CID 6161921) has the molecular formula C10H14N2O7 and a molecular weight of 274.23 g/mol. Its IUPAC name is (E)-4-[2,2-bis(2-methoxy-2-oxoethyl)hydrazinyl]-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(E)-4-[2,2-bis(2-methoxy-2-oxoethyl)hydrazinyl]-4-oxobut-2-enoic acid
PubChem CID6161921
Molecular FormulaC10H14N2O7
Molecular Weight274.23 g/mol
Exact Mass274.08
IUPAC Name(E)-4-[2,2-bis(2-methoxy-2-oxoethyl)hydrazinyl]-4-oxobut-2-enoic acid
SMILESCOC(=O)CN(CC(=O)OC)NC(=O)/C=C/C(=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)/b4-3+
InChIKeyNMVKLGPGOBNKFB-ONEGZZNKSA-N
XLogP-1.69
TPSA122.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 5-1.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 (E)-4-[2,2-bis(2-methoxy-2-oxoethyl)hydrazinyl]-4-oxobut-2-enoic acid?
The IUPAC name of (E)-4-[2,2-bis(2-methoxy-2-oxoethyl)hydrazinyl]-4-oxobut-2-enoic acid (CID 6161921) is (E)-4-[2,2-bis(2-methoxy-2-oxoethyl)hydrazinyl]-4-oxobut-2-enoic acid.
What is the SMILES notation for (E)-4-[2,2-bis(2-methoxy-2-oxoethyl)hydrazinyl]-4-oxobut-2-enoic acid?
The canonical SMILES for (E)-4-[2,2-bis(2-methoxy-2-oxoethyl)hydrazinyl]-4-oxobut-2-enoic acid is COC(=O)CN(CC(=O)OC)NC(=O)/C=C/C(=O)O.
What is the InChIKey of (E)-4-[2,2-bis(2-methoxy-2-oxoethyl)hydrazinyl]-4-oxobut-2-enoic acid?
The InChIKey is NMVKLGPGOBNKFB-ONEGZZNKSA-N. 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)/b4-3+.
What are the key properties of (E)-4-[2,2-bis(2-methoxy-2-oxoethyl)hydrazinyl]-4-oxobut-2-enoic acid?
(E)-4-[2,2-bis(2-methoxy-2-oxoethyl)hydrazinyl]-4-oxobut-2-enoic acid has a molecular weight of 274.23 g/mol, XLogP of -1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[2,2-bis(2-methoxy-2-oxoethyl)hydrazinyl]-4-oxobut-2-enoic acid is sourced from PubChem (CID 6161921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).