2-(1-hydroxy-2,2,5-trimethylcyclopentyl)acetic acid

C10H18O3 — CID 83906993

IUPAC2-(1-hydroxy-2,2,5-trimethylcyclopentyl)acetic acid
SMILESCC1CCC(C)(C)C1(O)CC(=O)O
InChIInChI=1S/C10H18O3/c1-7-4-5-9(2,3)10(7,13)6-8(11)12/h7,13H,4-6H2,1-3H3,(H,11,12)
InChIKeyANXRWPFROWDFOT-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.65
Rot. Bonds2

About 2-(1-hydroxy-2,2,5-trimethylcyclopentyl)acetic acid

2-(1-hydroxy-2,2,5-trimethylcyclopentyl)acetic acid (PubChem CID 83906993) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(1-hydroxy-2,2,5-trimethylcyclopentyl)acetic acid.

Molecular Properties

Compound Name2-(1-hydroxy-2,2,5-trimethylcyclopentyl)acetic acid
PubChem CID83906993
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-(1-hydroxy-2,2,5-trimethylcyclopentyl)acetic acid
SMILESCC1CCC(C)(C)C1(O)CC(=O)O
InChIInChI=1S/C10H18O3/c1-7-4-5-9(2,3)10(7,13)6-8(11)12/h7,13H,4-6H2,1-3H3,(H,11,12)
InChIKeyANXRWPFROWDFOT-UHFFFAOYSA-N
XLogP1.65
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-hydroxy-2,2,5-trimethylcyclopentane-1-carboxylic acid
CID 83905947
2-[(1S,2S)-1-(aminomethyl)-2-methylcyclobutyl]acetic acid
CID 57289063
2-[1-(aminomethyl)-2,2,6-trimethylcyclohexyl]acetic acid
CID 83909857
2-[(1R)-1-amino-2-methylcyclopropyl]acetic acid
CID 171036084
2-(4-hydroxy-1,3,5-trimethylpiperidin-4-yl)acetic acid
CID 83908396
2-(2-hydroxy-1,2-dimethylcyclopentyl)acetic acid
CID 130647860
2-(4-hydroxy-3,5-dimethylthian-4-yl)acetic acid
CID 83908672
2-(1-amino-4-methylcyclohexyl)acetic acid
CID 64664304
2-[(2R,3S,8R)-2-acetyl-4,4,8-trimethylspiro[2.5]octan-8-yl]acetic acid
CID 101145068
2-(4-hydroxy-3,3-dimethylthian-4-yl)acetic acid
CID 83908673
(4aR,5S,6S,8aS)-5-(carboxymethyl)-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
CID 51693752
2-[1-(dimethylamino)-2-methylcyclohexyl]acetic acid
CID 64528940

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-2,2,5-trimethylcyclopentyl)acetic acid?
The IUPAC name of 2-(1-hydroxy-2,2,5-trimethylcyclopentyl)acetic acid (CID 83906993) is 2-(1-hydroxy-2,2,5-trimethylcyclopentyl)acetic acid.
What is the SMILES notation for 2-(1-hydroxy-2,2,5-trimethylcyclopentyl)acetic acid?
The canonical SMILES for 2-(1-hydroxy-2,2,5-trimethylcyclopentyl)acetic acid is CC1CCC(C)(C)C1(O)CC(=O)O.
What is the InChIKey of 2-(1-hydroxy-2,2,5-trimethylcyclopentyl)acetic acid?
The InChIKey is ANXRWPFROWDFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-7-4-5-9(2,3)10(7,13)6-8(11)12/h7,13H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 2-(1-hydroxy-2,2,5-trimethylcyclopentyl)acetic acid?
2-(1-hydroxy-2,2,5-trimethylcyclopentyl)acetic acid has a molecular weight of 186.25 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-2,2,5-trimethylcyclopentyl)acetic acid is sourced from PubChem (CID 83906993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).