2-(2-hydroxy-1,2-dimethylcyclopentyl)acetic acid

C9H16O3 — CID 130647860

IUPAC2-(2-hydroxy-1,2-dimethylcyclopentyl)acetic acid
SMILESCC1(O)CCCC1(C)CC(=O)O
InChIInChI=1S/C9H16O3/c1-8(6-7(10)11)4-3-5-9(8,2)12/h12H,3-6H2,1-2H3,(H,10,11)
InChIKeyKRCNHCIKUXFYAQ-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.40
Rot. Bonds2

About 2-(2-hydroxy-1,2-dimethylcyclopentyl)acetic acid

2-(2-hydroxy-1,2-dimethylcyclopentyl)acetic acid (PubChem CID 130647860) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 2-(2-hydroxy-1,2-dimethylcyclopentyl)acetic acid.

Molecular Properties

Compound Name2-(2-hydroxy-1,2-dimethylcyclopentyl)acetic acid
PubChem CID130647860
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name2-(2-hydroxy-1,2-dimethylcyclopentyl)acetic acid
SMILESCC1(O)CCCC1(C)CC(=O)O
InChIInChI=1S/C9H16O3/c1-8(6-7(10)11)4-3-5-9(8,2)12/h12H,3-6H2,1-2H3,(H,10,11)
InChIKeyKRCNHCIKUXFYAQ-UHFFFAOYSA-N
XLogP1.40
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(hydroxymethyl)-1,2-dimethylcyclohexan-1-ol
CID 12590009
2-(aminomethyl)-1,2-dimethylcyclopentan-1-ol
CID 130681780
1,2-dimethyl-2-propylcyclopentan-1-ol
CID 131101146
2-[(2R,3S,8R)-2-acetyl-4,4,8-trimethylspiro[2.5]octan-8-yl]acetic acid
CID 101145068
2-(1,2-dimethyl-6-oxabicyclo[3.1.0]hexan-2-yl)acetic acid
CID 167313981
(1,2,2-trimethylcyclopentyl)methanol
CID 12003447
2-but-2-ynyl-1,2-dimethylcyclopentan-1-ol
CID 130673148
2-(1-hydroxy-2,2,5-trimethylcyclopentyl)acetic acid
CID 83906993
4-oxo-5-(1,2,2-trimethylcyclopentyl)pent-2-enal
CID 87764980
2-[(2S)-2-methylthiolan-2-yl]acetic acid
CID 129363672
2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]acetic acid
CID 10776157
2-methylcyclopentane-1,1,2-triol
CID 139968116

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-1,2-dimethylcyclopentyl)acetic acid?
The IUPAC name of 2-(2-hydroxy-1,2-dimethylcyclopentyl)acetic acid (CID 130647860) is 2-(2-hydroxy-1,2-dimethylcyclopentyl)acetic acid.
What is the SMILES notation for 2-(2-hydroxy-1,2-dimethylcyclopentyl)acetic acid?
The canonical SMILES for 2-(2-hydroxy-1,2-dimethylcyclopentyl)acetic acid is CC1(O)CCCC1(C)CC(=O)O.
What is the InChIKey of 2-(2-hydroxy-1,2-dimethylcyclopentyl)acetic acid?
The InChIKey is KRCNHCIKUXFYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-8(6-7(10)11)4-3-5-9(8,2)12/h12H,3-6H2,1-2H3,(H,10,11).
What are the key properties of 2-(2-hydroxy-1,2-dimethylcyclopentyl)acetic acid?
2-(2-hydroxy-1,2-dimethylcyclopentyl)acetic acid has a molecular weight of 172.22 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-1,2-dimethylcyclopentyl)acetic acid is sourced from PubChem (CID 130647860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).