4-[2,2-bis(3-methoxy-3-oxopropyl)hydrazinyl]-4-oxobutanoic acid

C12H20N2O7 — CID 89084518

IUPAC4-[2,2-bis(3-methoxy-3-oxopropyl)hydrazinyl]-4-oxobutanoic acid
SMILESCOC(=O)CCN(CCC(=O)OC)NC(=O)CCC(=O)O
InChIInChI=1S/C12H20N2O7/c1-20-11(18)5-7-14(8-6-12(19)21-2)13-9(15)3-4-10(16)17/h3-8H2,1-2H3,(H,13,15)(H,16,17)
InChIKeySMUAHZLHMSXKKV-UHFFFAOYSA-N
MW304.30 g/mol
LogP-0.69
Rot. Bonds10

About 4-[2,2-bis(3-methoxy-3-oxopropyl)hydrazinyl]-4-oxobutanoic acid

4-[2,2-bis(3-methoxy-3-oxopropyl)hydrazinyl]-4-oxobutanoic acid (PubChem CID 89084518) has the molecular formula C12H20N2O7 and a molecular weight of 304.30 g/mol. Its IUPAC name is 4-[2,2-bis(3-methoxy-3-oxopropyl)hydrazinyl]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[2,2-bis(3-methoxy-3-oxopropyl)hydrazinyl]-4-oxobutanoic acid
PubChem CID89084518
Molecular FormulaC12H20N2O7
Molecular Weight304.30 g/mol
Exact Mass304.13
IUPAC Name4-[2,2-bis(3-methoxy-3-oxopropyl)hydrazinyl]-4-oxobutanoic acid
SMILESCOC(=O)CCN(CCC(=O)OC)NC(=O)CCC(=O)O
InChIInChI=1S/C12H20N2O7/c1-20-11(18)5-7-14(8-6-12(19)21-2)13-9(15)3-4-10(16)17/h3-8H2,1-2H3,(H,13,15)(H,16,17)
InChIKeySMUAHZLHMSXKKV-UHFFFAOYSA-N
XLogP-0.69
TPSA122.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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(3-methoxy-3-oxopropyl)hydrazinyl]-4-oxobutanoic acid?
The IUPAC name of 4-[2,2-bis(3-methoxy-3-oxopropyl)hydrazinyl]-4-oxobutanoic acid (CID 89084518) is 4-[2,2-bis(3-methoxy-3-oxopropyl)hydrazinyl]-4-oxobutanoic acid.
What is the SMILES notation for 4-[2,2-bis(3-methoxy-3-oxopropyl)hydrazinyl]-4-oxobutanoic acid?
The canonical SMILES for 4-[2,2-bis(3-methoxy-3-oxopropyl)hydrazinyl]-4-oxobutanoic acid is COC(=O)CCN(CCC(=O)OC)NC(=O)CCC(=O)O.
What is the InChIKey of 4-[2,2-bis(3-methoxy-3-oxopropyl)hydrazinyl]-4-oxobutanoic acid?
The InChIKey is SMUAHZLHMSXKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O7/c1-20-11(18)5-7-14(8-6-12(19)21-2)13-9(15)3-4-10(16)17/h3-8H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 4-[2,2-bis(3-methoxy-3-oxopropyl)hydrazinyl]-4-oxobutanoic acid?
4-[2,2-bis(3-methoxy-3-oxopropyl)hydrazinyl]-4-oxobutanoic acid has a molecular weight of 304.30 g/mol, XLogP of -0.69, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-bis(3-methoxy-3-oxopropyl)hydrazinyl]-4-oxobutanoic acid is sourced from PubChem (CID 89084518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).