4-(1-hydroxyethenyl)cyclopentane-1,2,3-tricarboxylic acid

C10H12O7 — CID 158943945

IUPAC4-(1-hydroxyethenyl)cyclopentane-1,2,3-tricarboxylic acid
SMILESC=C(O)C1CC(C(=O)O)C(C(=O)O)C1C(=O)O
InChIInChI=1S/C10H12O7/c1-3(11)4-2-5(8(12)13)7(10(16)17)6(4)9(14)15/h4-7,11H,1-2H2,(H,12,13)(H,14,15)(H,16,17)
InChIKeyWJJOVVCXUHZUEE-UHFFFAOYSA-N
MW244.20 g/mol
LogP0.18
Rot. Bonds4

About 4-(1-hydroxyethenyl)cyclopentane-1,2,3-tricarboxylic acid

4-(1-hydroxyethenyl)cyclopentane-1,2,3-tricarboxylic acid (PubChem CID 158943945) has the molecular formula C10H12O7 and a molecular weight of 244.20 g/mol. Its IUPAC name is 4-(1-hydroxyethenyl)cyclopentane-1,2,3-tricarboxylic acid.

Molecular Properties

Compound Name4-(1-hydroxyethenyl)cyclopentane-1,2,3-tricarboxylic acid
PubChem CID158943945
Molecular FormulaC10H12O7
Molecular Weight244.20 g/mol
Exact Mass244.06
IUPAC Name4-(1-hydroxyethenyl)cyclopentane-1,2,3-tricarboxylic acid
SMILESC=C(O)C1CC(C(=O)O)C(C(=O)O)C1C(=O)O
InChIInChI=1S/C10H12O7/c1-3(11)4-2-5(8(12)13)7(10(16)17)6(4)9(14)15/h4-7,11H,1-2H2,(H,12,13)(H,14,15)(H,16,17)
InChIKeyWJJOVVCXUHZUEE-UHFFFAOYSA-N
XLogP0.18
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 50.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

trans-(1R,2R)-cyclopentane-1,2,3,4-tetracarboxylic acid
CID 54441949
cis-(1R,2S)-cyclopropane-1,2-dicarboxylic acid
CID 726455
(1R,2R,3R,4S)-3-(carboxymethyl)cyclopentane-1,2,4-tricarboxylic acid
CID 99934066
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,2,4-tricarboxylic acid
CID 57215846
3-methoxycarbonylcyclobutane-1,2-dicarboxylic acid
CID 23208873
(2R)-cyclobutane-1,2-dicarboxylic acid
CID 135193426
cyclopentane-1,2,3,4-tetracarboxylic acid;hydron;methanol;tetramethyl cyclopentane-1,2,3,4-tetracarboxylate
CID 158133592
2-[1-(methylamino)ethenyl]cyclopropane-1-carboxylic acid
CID 155310064
3-(2-methylprop-2-enoyloxy)cyclobutane-1,2-dicarboxylic acid
CID 67023090
(2S)-2-methylcyclopropane-1-carboxylic acid
CID 70278837
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3,6,7-tetracarboxylic acid
CID 67173351
trans-(1R,2R)-2-methylcyclopropane-1-carboxylic acid
CID 6995705

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyethenyl)cyclopentane-1,2,3-tricarboxylic acid?
The IUPAC name of 4-(1-hydroxyethenyl)cyclopentane-1,2,3-tricarboxylic acid (CID 158943945) is 4-(1-hydroxyethenyl)cyclopentane-1,2,3-tricarboxylic acid.
What is the SMILES notation for 4-(1-hydroxyethenyl)cyclopentane-1,2,3-tricarboxylic acid?
The canonical SMILES for 4-(1-hydroxyethenyl)cyclopentane-1,2,3-tricarboxylic acid is C=C(O)C1CC(C(=O)O)C(C(=O)O)C1C(=O)O.
What is the InChIKey of 4-(1-hydroxyethenyl)cyclopentane-1,2,3-tricarboxylic acid?
The InChIKey is WJJOVVCXUHZUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O7/c1-3(11)4-2-5(8(12)13)7(10(16)17)6(4)9(14)15/h4-7,11H,1-2H2,(H,12,13)(H,14,15)(H,16,17).
What are the key properties of 4-(1-hydroxyethenyl)cyclopentane-1,2,3-tricarboxylic acid?
4-(1-hydroxyethenyl)cyclopentane-1,2,3-tricarboxylic acid has a molecular weight of 244.20 g/mol, XLogP of 0.18, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyethenyl)cyclopentane-1,2,3-tricarboxylic acid is sourced from PubChem (CID 158943945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).