4-methylcyclopentane-1,2-dicarboxylic acid

C8H12O4 — CID 70334041

IUPAC4-methylcyclopentane-1,2-dicarboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)O)C1
InChIInChI=1S/C8H12O4/c1-4-2-5(7(9)10)6(3-4)8(11)12/h4-6H,2-3H2,1H3,(H,9,10)(H,11,12)
InChIKeyKPNLIOQRPMSQNQ-UHFFFAOYSA-N
MW172.18 g/mol
LogP0.82
Rot. Bonds2

About 4-methylcyclopentane-1,2-dicarboxylic acid

4-methylcyclopentane-1,2-dicarboxylic acid (PubChem CID 70334041) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is 4-methylcyclopentane-1,2-dicarboxylic acid.

Molecular Properties

Compound Name4-methylcyclopentane-1,2-dicarboxylic acid
PubChem CID70334041
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name4-methylcyclopentane-1,2-dicarboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)O)C1
InChIInChI=1S/C8H12O4/c1-4-2-5(7(9)10)6(3-4)8(11)12/h4-6H,2-3H2,1H3,(H,9,10)(H,11,12)
InChIKeyKPNLIOQRPMSQNQ-UHFFFAOYSA-N
XLogP0.82
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,4-Cyclopentanetetracarboxylic acid
CID 19622
1,2-Cyclopentanedicarboxylic acid, (1R,2R)-rel-
CID 727375
1,2-Cyclopentanedicarboxylate
CID 89554
2-Methylcyclopentane-1-carboxylic acid
CID 229502
rel-(1R,2R,3S,4S)-1,2,3,4-Cyclopentanetetracarboxylic acid
CID 252253
cis-Cyclopentane-1,2-dicarboxylic acid
CID 727374
2-(2-methylcyclopentyl)acetic Acid
CID 4351989
Cis-2-carbomethoxycyclopentane-1-carboxylic acid
CID 11194595
rac-(1R,2S)-2-(methoxycarbonyl)cyclopentane-1-carboxylic acid
CID 11344263
2-(3-Methylcyclopentyl)acetic acid
CID 12383293
rac-(1R,2R)-2-methylcyclopentane-1-carboxylic acid
CID 13000109
2-Ethylcyclopentane-1-carboxylic acid
CID 14381283

Frequently Asked Questions

What is the IUPAC name of 4-methylcyclopentane-1,2-dicarboxylic acid?
The IUPAC name of 4-methylcyclopentane-1,2-dicarboxylic acid (CID 70334041) is 4-methylcyclopentane-1,2-dicarboxylic acid.
What is the SMILES notation for 4-methylcyclopentane-1,2-dicarboxylic acid?
The canonical SMILES for 4-methylcyclopentane-1,2-dicarboxylic acid is CC1CC(C(=O)O)C(C(=O)O)C1.
What is the InChIKey of 4-methylcyclopentane-1,2-dicarboxylic acid?
The InChIKey is KPNLIOQRPMSQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4/c1-4-2-5(7(9)10)6(3-4)8(11)12/h4-6H,2-3H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 4-methylcyclopentane-1,2-dicarboxylic acid?
4-methylcyclopentane-1,2-dicarboxylic acid has a molecular weight of 172.18 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylcyclopentane-1,2-dicarboxylic acid is sourced from PubChem (CID 70334041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).