4-hydroxycyclopent-2-ene-1,2-dicarboxylic acid

C7H8O5 — CID 23143950

IUPAC4-hydroxycyclopent-2-ene-1,2-dicarboxylic acid
SMILESO=C(O)C1=CC(O)CC1C(=O)O
InChIInChI=1S/C7H8O5/c8-3-1-4(6(9)10)5(2-3)7(11)12/h1,3,5,8H,2H2,(H,9,10)(H,11,12)
InChIKeyFSGMMLLHQMPDNM-UHFFFAOYSA-N
MW172.14 g/mol
LogP-0.54
Rot. Bonds2

About 4-hydroxycyclopent-2-ene-1,2-dicarboxylic acid

4-hydroxycyclopent-2-ene-1,2-dicarboxylic acid (PubChem CID 23143950) has the molecular formula C7H8O5 and a molecular weight of 172.14 g/mol. Its IUPAC name is 4-hydroxycyclopent-2-ene-1,2-dicarboxylic acid.

Molecular Properties

Compound Name4-hydroxycyclopent-2-ene-1,2-dicarboxylic acid
PubChem CID23143950
Molecular FormulaC7H8O5
Molecular Weight172.14 g/mol
Exact Mass172.04
IUPAC Name4-hydroxycyclopent-2-ene-1,2-dicarboxylic acid
SMILESO=C(O)C1=CC(O)CC1C(=O)O
InChIInChI=1S/C7H8O5/c8-3-1-4(6(9)10)5(2-3)7(11)12/h1,3,5,8H,2H2,(H,9,10)(H,11,12)
InChIKeyFSGMMLLHQMPDNM-UHFFFAOYSA-N
XLogP-0.54
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Kbr2kpc2U5
CID 11550012
3-Hydroxycyclopent-1-enecarboxylic acid
CID 21750168
Hocpca, 3S
CID 11579122
1,4,4a,5,8,8a-Hexahydro-5-hydroxy-8-oxo-1-naphthalenecarboxylic acid
CID 243541
3-Hydroxy-3-tritiocyclopentene-1-carboxylic acid
CID 72714102
2-Cyclopentene-1,2-dicarboxylic acid
CID 54433583
disodium;(3R)-3-(2-carboxylatoprop-2-enyl)-4-hydroxycyclohexa-1,5-diene-1-carboxylate
CID 135007368
dimethyl (1S,4R)-4-hydroxycyclopent-2-ene-1,2-dicarboxylate
CID 135028564
(1R,2R,5R)-5-hydroxycyclohex-3-ene-1,2-dicarboxylic acid
CID 135086217
2-(4-Hydroxycyclopent-2-en-1-yl)acetic acid
CID 18427260
[3-Hydroxymethyl-1-hydroxycyclopent-3-en-2-yl]acetic acid
CID 19836124
3-Hydroxy-4-methylcyclopentene-1-carboxylic acid
CID 21136467

Frequently Asked Questions

What is the IUPAC name of 4-hydroxycyclopent-2-ene-1,2-dicarboxylic acid?
The IUPAC name of 4-hydroxycyclopent-2-ene-1,2-dicarboxylic acid (CID 23143950) is 4-hydroxycyclopent-2-ene-1,2-dicarboxylic acid.
What is the SMILES notation for 4-hydroxycyclopent-2-ene-1,2-dicarboxylic acid?
The canonical SMILES for 4-hydroxycyclopent-2-ene-1,2-dicarboxylic acid is O=C(O)C1=CC(O)CC1C(=O)O.
What is the InChIKey of 4-hydroxycyclopent-2-ene-1,2-dicarboxylic acid?
The InChIKey is FSGMMLLHQMPDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O5/c8-3-1-4(6(9)10)5(2-3)7(11)12/h1,3,5,8H,2H2,(H,9,10)(H,11,12).
What are the key properties of 4-hydroxycyclopent-2-ene-1,2-dicarboxylic acid?
4-hydroxycyclopent-2-ene-1,2-dicarboxylic acid has a molecular weight of 172.14 g/mol, XLogP of -0.54, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxycyclopent-2-ene-1,2-dicarboxylic acid is sourced from PubChem (CID 23143950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).