3,3-dihydroxycyclopentane-1-carboxylic acid

C6H10O4 — CID 67929383

IUPAC3,3-dihydroxycyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(O)(O)C1
InChIInChI=1S/C6H10O4/c7-5(8)4-1-2-6(9,10)3-4/h4,9-10H,1-3H2,(H,7,8)
InChIKeyLVTIJVKNCQQJDI-UHFFFAOYSA-N
MW146.14 g/mol
LogP-0.45
Rot. Bonds1

About 3,3-dihydroxycyclopentane-1-carboxylic acid

3,3-dihydroxycyclopentane-1-carboxylic acid (PubChem CID 67929383) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is 3,3-dihydroxycyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3,3-dihydroxycyclopentane-1-carboxylic acid
PubChem CID67929383
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name3,3-dihydroxycyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(O)(O)C1
InChIInChI=1S/C6H10O4/c7-5(8)4-1-2-6(9,10)3-4/h4,9-10H,1-3H2,(H,7,8)
InChIKeyLVTIJVKNCQQJDI-UHFFFAOYSA-N
XLogP-0.45
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-3-(trifluoromethyl)cyclopentane-1-carboxylic acid
CID 83915930
4-amino-4-hydroxycyclohexane-1-carboxylic acid
CID 123288864
spiro[4.5]decane-3-carboxylic acid
CID 13443385
1-azaspiro[2.4]heptane-5-carboxylic acid
CID 87945137
3-acetyl-3-methylcyclopentane-1-carboxylic acid
CID 89159175
(8R)-1,4-dithiaspiro[4.4]nonane-8-carboxylic acid
CID 99996158
4-acetyl-4-hydroxycyclohexane-1-carboxylic acid
CID 118221277
(9S)-spiro[4.5]decane-9-carboxylic acid
CID 67991694
1-hydroxy-2,2,7,7-tetramethylazepane-4-carboxylic acid
CID 18522538
cis-(1S,3S)-1-(dimethylamino)cyclopentane-1,3-dicarboxylic acid
CID 71579136
trans-(1S,3R)-3-methoxycarbonyl-3-methylcyclopentane-1-carboxylic acid
CID 121455557
(5R,8R)-2-azaspiro[4.4]nonane-8-carboxylic acid
CID 96850483

Frequently Asked Questions

What is the IUPAC name of 3,3-dihydroxycyclopentane-1-carboxylic acid?
The IUPAC name of 3,3-dihydroxycyclopentane-1-carboxylic acid (CID 67929383) is 3,3-dihydroxycyclopentane-1-carboxylic acid.
What is the SMILES notation for 3,3-dihydroxycyclopentane-1-carboxylic acid?
The canonical SMILES for 3,3-dihydroxycyclopentane-1-carboxylic acid is O=C(O)C1CCC(O)(O)C1.
What is the InChIKey of 3,3-dihydroxycyclopentane-1-carboxylic acid?
The InChIKey is LVTIJVKNCQQJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c7-5(8)4-1-2-6(9,10)3-4/h4,9-10H,1-3H2,(H,7,8).
What are the key properties of 3,3-dihydroxycyclopentane-1-carboxylic acid?
3,3-dihydroxycyclopentane-1-carboxylic acid has a molecular weight of 146.14 g/mol, XLogP of -0.45, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dihydroxycyclopentane-1-carboxylic acid is sourced from PubChem (CID 67929383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).