3-methoxycarbonylcyclobutane-1,2-dicarboxylic acid

C8H10O6 — CID 23208873

IUPAC3-methoxycarbonylcyclobutane-1,2-dicarboxylic acid
SMILESCOC(=O)C1CC(C(=O)O)C1C(=O)O
InChIInChI=1S/C8H10O6/c1-14-8(13)4-2-3(6(9)10)5(4)7(11)12/h3-5H,2H2,1H3,(H,9,10)(H,11,12)
InChIKeyWZJSAWSWBCRPKP-UHFFFAOYSA-N
MW202.16 g/mol
LogP-0.42
Rot. Bonds3

About 3-methoxycarbonylcyclobutane-1,2-dicarboxylic acid

3-methoxycarbonylcyclobutane-1,2-dicarboxylic acid (PubChem CID 23208873) has the molecular formula C8H10O6 and a molecular weight of 202.16 g/mol. Its IUPAC name is 3-methoxycarbonylcyclobutane-1,2-dicarboxylic acid.

Molecular Properties

Compound Name3-methoxycarbonylcyclobutane-1,2-dicarboxylic acid
PubChem CID23208873
Molecular FormulaC8H10O6
Molecular Weight202.16 g/mol
Exact Mass202.05
IUPAC Name3-methoxycarbonylcyclobutane-1,2-dicarboxylic acid
SMILESCOC(=O)C1CC(C(=O)O)C1C(=O)O
InChIInChI=1S/C8H10O6/c1-14-8(13)4-2-3(6(9)10)5(4)7(11)12/h3-5H,2H2,1H3,(H,9,10)(H,11,12)
InChIKeyWZJSAWSWBCRPKP-UHFFFAOYSA-N
XLogP-0.42
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxycarbonylcyclobutane-1,2-dicarboxylic acid?
The IUPAC name of 3-methoxycarbonylcyclobutane-1,2-dicarboxylic acid (CID 23208873) is 3-methoxycarbonylcyclobutane-1,2-dicarboxylic acid.
What is the SMILES notation for 3-methoxycarbonylcyclobutane-1,2-dicarboxylic acid?
The canonical SMILES for 3-methoxycarbonylcyclobutane-1,2-dicarboxylic acid is COC(=O)C1CC(C(=O)O)C1C(=O)O.
What is the InChIKey of 3-methoxycarbonylcyclobutane-1,2-dicarboxylic acid?
The InChIKey is WZJSAWSWBCRPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O6/c1-14-8(13)4-2-3(6(9)10)5(4)7(11)12/h3-5H,2H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 3-methoxycarbonylcyclobutane-1,2-dicarboxylic acid?
3-methoxycarbonylcyclobutane-1,2-dicarboxylic acid has a molecular weight of 202.16 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxycarbonylcyclobutane-1,2-dicarboxylic acid is sourced from PubChem (CID 23208873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).