2-methoxycarbonylcyclopentene-1-carboxylic acid

C8H10O4 — CID 11030260

IUPAC2-methoxycarbonylcyclopentene-1-carboxylic acid
SMILESCOC(=O)C1=C(C(=O)O)CCC1
InChIInChI=1S/C8H10O4/c1-12-8(11)6-4-2-3-5(6)7(9)10/h2-4H2,1H3,(H,9,10)
InChIKeyMXEHBGOKKIQJLK-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.72
Rot. Bonds2

About 2-methoxycarbonylcyclopentene-1-carboxylic acid

2-methoxycarbonylcyclopentene-1-carboxylic acid (PubChem CID 11030260) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 2-methoxycarbonylcyclopentene-1-carboxylic acid.

Molecular Properties

Compound Name2-methoxycarbonylcyclopentene-1-carboxylic acid
PubChem CID11030260
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name2-methoxycarbonylcyclopentene-1-carboxylic acid
SMILESCOC(=O)C1=C(C(=O)O)CCC1
InChIInChI=1S/C8H10O4/c1-12-8(11)6-4-2-3-5(6)7(9)10/h2-4H2,1H3,(H,9,10)
InChIKeyMXEHBGOKKIQJLK-UHFFFAOYSA-N
XLogP0.72
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methoxycarbonylcyclopentene-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxycarbonylcyclopentene-1-carboxylic acid?
The IUPAC name of 2-methoxycarbonylcyclopentene-1-carboxylic acid (CID 11030260) is 2-methoxycarbonylcyclopentene-1-carboxylic acid.
What is the SMILES notation for 2-methoxycarbonylcyclopentene-1-carboxylic acid?
The canonical SMILES for 2-methoxycarbonylcyclopentene-1-carboxylic acid is COC(=O)C1=C(C(=O)O)CCC1.
What is the InChIKey of 2-methoxycarbonylcyclopentene-1-carboxylic acid?
The InChIKey is MXEHBGOKKIQJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-12-8(11)6-4-2-3-5(6)7(9)10/h2-4H2,1H3,(H,9,10).
What are the key properties of 2-methoxycarbonylcyclopentene-1-carboxylic acid?
2-methoxycarbonylcyclopentene-1-carboxylic acid has a molecular weight of 170.16 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxycarbonylcyclopentene-1-carboxylic acid is sourced from PubChem (CID 11030260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).