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

C10H14N2O7 — CID 4603606

IUPAC4-[2,2-bis(2-methoxy-2-oxoethyl)hydrazinyl]-4-oxobut-2-enoic acid
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)
InChIKeyNMVKLGPGOBNKFB-UHFFFAOYSA-N
MW274.23 g/mol
LogP-1.69
Rot. Bonds7

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

4-[2,2-bis(2-methoxy-2-oxoethyl)hydrazinyl]-4-oxobut-2-enoic acid (PubChem CID 4603606) has the molecular formula C10H14N2O7 and a molecular weight of 274.23 g/mol. Its IUPAC name is 4-[2,2-bis(2-methoxy-2-oxoethyl)hydrazinyl]-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name4-[2,2-bis(2-methoxy-2-oxoethyl)hydrazinyl]-4-oxobut-2-enoic acid
PubChem CID4603606
Molecular FormulaC10H14N2O7
Molecular Weight274.23 g/mol
Exact Mass274.08
IUPAC Name4-[2,2-bis(2-methoxy-2-oxoethyl)hydrazinyl]-4-oxobut-2-enoic acid
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)
InChIKeyNMVKLGPGOBNKFB-UHFFFAOYSA-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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Related Compounds

Choline salt with maleic hydrazide (1:1)
CID 57353015
(2E)-3-[N',N'-Bis(2-methoxy-2-oxoethyl)hydrazinecarbonyl]prop-2-enoic acid
CID 6161921
ethyl 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate
CID 28888360
Methyl 2-(3,6-dioxo-1,2-dihydropyridazinyl)acetate
CID 3375754
(2E)-3-(N-morpholin-4-ylcarbamoyl)prop-2-enoic acid
CID 17385488
4-(Morpholin-4-ylamino)-4-oxobut-2-enoic acid
CID 54372425
(Z)-4-(morpholin-4-ylamino)-4-oxobut-2-enoic acid
CID 59968378
2-[bis(2-hydroxyethyl)amino]ethanol;(Z)-4-hydrazinyl-4-oxobut-2-enoic acid
CID 174922819
4-[2,2-Bis(2-methoxy-2-oxoethyl)hydrazinyl]-4-oxobut-2-enoate
CID 6998331
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-(2-methoxyethyl)amino]acetic acid
CID 61537336
5-Hydroxy-2-(2-methoxy-ethyl)-2H-pyrazole-3-carboxylic acid
CID 100010621
propyl 2-(3,6-dioxo-1H-pyridazin-2-yl)acetate
CID 112724764

Frequently Asked Questions

What is the IUPAC name of 4-[2,2-bis(2-methoxy-2-oxoethyl)hydrazinyl]-4-oxobut-2-enoic acid?
The IUPAC name of 4-[2,2-bis(2-methoxy-2-oxoethyl)hydrazinyl]-4-oxobut-2-enoic acid (CID 4603606) is 4-[2,2-bis(2-methoxy-2-oxoethyl)hydrazinyl]-4-oxobut-2-enoic acid.
What is the SMILES notation for 4-[2,2-bis(2-methoxy-2-oxoethyl)hydrazinyl]-4-oxobut-2-enoic acid?
The canonical SMILES for 4-[2,2-bis(2-methoxy-2-oxoethyl)hydrazinyl]-4-oxobut-2-enoic acid 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-enoic acid?
The InChIKey is NMVKLGPGOBNKFB-UHFFFAOYSA-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).
What are the key properties of 4-[2,2-bis(2-methoxy-2-oxoethyl)hydrazinyl]-4-oxobut-2-enoic acid?
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 4-[2,2-bis(2-methoxy-2-oxoethyl)hydrazinyl]-4-oxobut-2-enoic acid is sourced from PubChem (CID 4603606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).