3-methylcyclobutane-1,1-dicarboxylic acid

C7H10O4 — CID 10241060

IUPAC3-methylcyclobutane-1,1-dicarboxylic acid
SMILESCC1CC(C(=O)O)(C(=O)O)C1
InChIInChI=1S/C7H10O4/c1-4-2-7(3-4,5(8)9)6(10)11/h4H,2-3H2,1H3,(H,8,9)(H,10,11)
InChIKeyGKVKVZPOHYYBQA-UHFFFAOYSA-N
MW158.15 g/mol
LogP0.57
Rot. Bonds2

About 3-methylcyclobutane-1,1-dicarboxylic acid

3-methylcyclobutane-1,1-dicarboxylic acid (PubChem CID 10241060) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is 3-methylcyclobutane-1,1-dicarboxylic acid.

Molecular Properties

Compound Name3-methylcyclobutane-1,1-dicarboxylic acid
PubChem CID10241060
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name3-methylcyclobutane-1,1-dicarboxylic acid
SMILESCC1CC(C(=O)O)(C(=O)O)C1
InChIInChI=1S/C7H10O4/c1-4-2-7(3-4,5(8)9)6(10)11/h4H,2-3H2,1H3,(H,8,9)(H,10,11)
InChIKeyGKVKVZPOHYYBQA-UHFFFAOYSA-N
XLogP0.57
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1,1-Cyclobutanedicarboxylic acid
CID 2568
3,3-Dimethylcyclobutanecarboxylic acid
CID 215106
Isobutylmalonic acid
CID 78069
n-Propylmalonic acid
CID 12027
Cyclobutane dicarboxylate platinum (II)
CID 2567
1-Methylcyclobutane-1-carboxylic acid
CID 12757488
CID 25199580
CID 25199580
1-(Ethoxycarbonyl)cyclobutane-1-carboxylic acid
CID 10559105
1-(Methoxymethyl)cyclobutanecarboxylic acid
CID 29893137
1,3-Dimethylcyclobutane-1-carboxylic acid
CID 53978148
2-(3-Fluoropropyl)-2-methyl-malonic acid
CID 87491524
3-(Trifluoromethyl)cyclobutane-1,1-dicarboxylic acid
CID 145864829

Frequently Asked Questions

What is the IUPAC name of 3-methylcyclobutane-1,1-dicarboxylic acid?
The IUPAC name of 3-methylcyclobutane-1,1-dicarboxylic acid (CID 10241060) is 3-methylcyclobutane-1,1-dicarboxylic acid.
What is the SMILES notation for 3-methylcyclobutane-1,1-dicarboxylic acid?
The canonical SMILES for 3-methylcyclobutane-1,1-dicarboxylic acid is CC1CC(C(=O)O)(C(=O)O)C1.
What is the InChIKey of 3-methylcyclobutane-1,1-dicarboxylic acid?
The InChIKey is GKVKVZPOHYYBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4/c1-4-2-7(3-4,5(8)9)6(10)11/h4H,2-3H2,1H3,(H,8,9)(H,10,11).
What are the key properties of 3-methylcyclobutane-1,1-dicarboxylic acid?
3-methylcyclobutane-1,1-dicarboxylic acid has a molecular weight of 158.15 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylcyclobutane-1,1-dicarboxylic acid is sourced from PubChem (CID 10241060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).