2-cyclopentyl-2-hydroxybutanedioic acid

C9H14O5 — CID 165483001

IUPAC2-cyclopentyl-2-hydroxybutanedioic acid
SMILESO=C(O)CC(O)(C(=O)O)C1CCCC1
InChIInChI=1S/C9H14O5/c10-7(11)5-9(14,8(12)13)6-3-1-2-4-6/h6,14H,1-5H2,(H,10,11)(H,12,13)
InChIKeyDENAXNJLACWSIZ-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.47
Rot. Bonds4

About 2-cyclopentyl-2-hydroxybutanedioic acid

2-cyclopentyl-2-hydroxybutanedioic acid (PubChem CID 165483001) has the molecular formula C9H14O5 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-cyclopentyl-2-hydroxybutanedioic acid.

Molecular Properties

Compound Name2-cyclopentyl-2-hydroxybutanedioic acid
PubChem CID165483001
Molecular FormulaC9H14O5
Molecular Weight202.21 g/mol
Exact Mass202.08
IUPAC Name2-cyclopentyl-2-hydroxybutanedioic acid
SMILESO=C(O)CC(O)(C(=O)O)C1CCCC1
InChIInChI=1S/C9H14O5/c10-7(11)5-9(14,8(12)13)6-3-1-2-4-6/h6,14H,1-5H2,(H,10,11)(H,12,13)
InChIKeyDENAXNJLACWSIZ-UHFFFAOYSA-N
XLogP0.47
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentyl-3-hydroxypent-4-enoic acid
CID 46835646
2-cyclobutyl-2-hydroxypentanoic acid
CID 83051264
3-amino-3-cyclopentylbutanoic acid
CID 55295139
(3R)-3-amino-3-cyclopentylbutanoic acid
CID 55294909
3,3-dicyclopropyl-3-hydroxypropanoic acid
CID 18626409
3-cyclopentyl-4-hydroxy-3-methylbutanoic acid
CID 105442131
3-cyclohexyl-3-(dimethylamino)butanoic acid
CID 64527768
3-cycloheptyl-3-methoxybutanoic acid
CID 105467922
3-cyclopentyl-3-hydroxy-2,2-dimethylbutanoic acid
CID 105452917
3-cyclohexyl-3-(4-fluorophenyl)-3-hydroxypropanoic acid
CID 82049889
2-hydroxy-2-(thian-4-yl)butanoic acid
CID 79303672
(3R)-3-amino-3-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 175307569

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-hydroxybutanedioic acid?
The IUPAC name of 2-cyclopentyl-2-hydroxybutanedioic acid (CID 165483001) is 2-cyclopentyl-2-hydroxybutanedioic acid.
What is the SMILES notation for 2-cyclopentyl-2-hydroxybutanedioic acid?
The canonical SMILES for 2-cyclopentyl-2-hydroxybutanedioic acid is O=C(O)CC(O)(C(=O)O)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-hydroxybutanedioic acid?
The InChIKey is DENAXNJLACWSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O5/c10-7(11)5-9(14,8(12)13)6-3-1-2-4-6/h6,14H,1-5H2,(H,10,11)(H,12,13).
What are the key properties of 2-cyclopentyl-2-hydroxybutanedioic acid?
2-cyclopentyl-2-hydroxybutanedioic acid has a molecular weight of 202.21 g/mol, XLogP of 0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-hydroxybutanedioic acid is sourced from PubChem (CID 165483001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).