5-(carboxymethyl)cyclopentene-1-carboxylic acid

C8H10O4 — CID 90694500

IUPAC5-(carboxymethyl)cyclopentene-1-carboxylic acid
SMILESO=C(O)CC1CCC=C1C(=O)O
InChIInChI=1S/C8H10O4/c9-7(10)4-5-2-1-3-6(5)8(11)12/h3,5H,1-2,4H2,(H,9,10)(H,11,12)
InChIKeyOASKDDXEVFHANW-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.88
Rot. Bonds3

About 5-(carboxymethyl)cyclopentene-1-carboxylic acid

5-(carboxymethyl)cyclopentene-1-carboxylic acid (PubChem CID 90694500) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 5-(carboxymethyl)cyclopentene-1-carboxylic acid.

Molecular Properties

Compound Name5-(carboxymethyl)cyclopentene-1-carboxylic acid
PubChem CID90694500
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name5-(carboxymethyl)cyclopentene-1-carboxylic acid
SMILESO=C(O)CC1CCC=C1C(=O)O
InChIInChI=1S/C8H10O4/c9-7(10)4-5-2-1-3-6(5)8(11)12/h3,5H,1-2,4H2,(H,9,10)(H,11,12)
InChIKeyOASKDDXEVFHANW-UHFFFAOYSA-N
XLogP0.88
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(carboxymethyl)cyclopentene-1-carboxylic acid?
The IUPAC name of 5-(carboxymethyl)cyclopentene-1-carboxylic acid (CID 90694500) is 5-(carboxymethyl)cyclopentene-1-carboxylic acid.
What is the SMILES notation for 5-(carboxymethyl)cyclopentene-1-carboxylic acid?
The canonical SMILES for 5-(carboxymethyl)cyclopentene-1-carboxylic acid is O=C(O)CC1CCC=C1C(=O)O.
What is the InChIKey of 5-(carboxymethyl)cyclopentene-1-carboxylic acid?
The InChIKey is OASKDDXEVFHANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c9-7(10)4-5-2-1-3-6(5)8(11)12/h3,5H,1-2,4H2,(H,9,10)(H,11,12).
What are the key properties of 5-(carboxymethyl)cyclopentene-1-carboxylic acid?
5-(carboxymethyl)cyclopentene-1-carboxylic acid has a molecular weight of 170.16 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(carboxymethyl)cyclopentene-1-carboxylic acid is sourced from PubChem (CID 90694500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).