(1R,2R,5S)-2-tert-butyl-5-hydroxycyclopentane-1-carboxylic acid

C10H18O3 — CID 101376982

IUPAC(1R,2R,5S)-2-tert-butyl-5-hydroxycyclopentane-1-carboxylic acid
SMILESCC(C)(C)[C@@H]1CC[C@H](O)[C@@H]1C(=O)O
InChIInChI=1S/C10H18O3/c1-10(2,3)6-4-5-7(11)8(6)9(12)13/h6-8,11H,4-5H2,1-3H3,(H,12,13)/t6-,7+,8-/m1/s1
InChIKeyDKZGFYCKGAZEIZ-GJMOJQLCSA-N
MW186.25 g/mol
LogP1.50
Rot. Bonds1

About (1R,2R,5S)-2-tert-butyl-5-hydroxycyclopentane-1-carboxylic acid

(1R,2R,5S)-2-tert-butyl-5-hydroxycyclopentane-1-carboxylic acid (PubChem CID 101376982) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (1R,2R,5S)-2-tert-butyl-5-hydroxycyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(1R,2R,5S)-2-tert-butyl-5-hydroxycyclopentane-1-carboxylic acid
PubChem CID101376982
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(1R,2R,5S)-2-tert-butyl-5-hydroxycyclopentane-1-carboxylic acid
SMILESCC(C)(C)[C@@H]1CC[C@H](O)[C@@H]1C(=O)O
InChIInChI=1S/C10H18O3/c1-10(2,3)6-4-5-7(11)8(6)9(12)13/h6-8,11H,4-5H2,1-3H3,(H,12,13)/t6-,7+,8-/m1/s1
InChIKeyDKZGFYCKGAZEIZ-GJMOJQLCSA-N
XLogP1.50
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S,5R)-2-tert-butyl-5-hydroxycyclopentane-1-carboxylic acid
CID 101376983
(1R,2S,5S)-2-amino-5-hydroxycyclopentane-1-carboxylic acid
CID 11321017
acetic acid;2-tert-butyl-4-methylcyclohexan-1-ol
CID 53446928
cis-(2R,3S)-2,3,4-trihydroxycyclohexane-1-carboxylic acid
CID 89269522
carbonic acid;cyclobutane-1,2-diol
CID 122598363
3-tert-butylcyclobutane-1,2-diol
CID 12791413
(1S,2R,3R)-2,3-dihydroxycyclopentane-1-carboxylic acid
CID 45084677
(1R,2S,4R)-2-tert-butylcyclohexane-1,4-diol
CID 124526361
3-hydroxy-2-methylcyclopentane-1-carboxylic acid
CID 55301199
3,6-dimethylcyclohexane-1,2-dicarboxylic acid
CID 18356822
(2S)-2,5-dimethylcyclopentane-1-carboxylic acid
CID 55301029
3-tert-butyl-5-oxopyrrolidine-2-carboxylic acid
CID 105359947

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5S)-2-tert-butyl-5-hydroxycyclopentane-1-carboxylic acid?
The IUPAC name of (1R,2R,5S)-2-tert-butyl-5-hydroxycyclopentane-1-carboxylic acid (CID 101376982) is (1R,2R,5S)-2-tert-butyl-5-hydroxycyclopentane-1-carboxylic acid.
What is the SMILES notation for (1R,2R,5S)-2-tert-butyl-5-hydroxycyclopentane-1-carboxylic acid?
The canonical SMILES for (1R,2R,5S)-2-tert-butyl-5-hydroxycyclopentane-1-carboxylic acid is CC(C)(C)[C@@H]1CC[C@H](O)[C@@H]1C(=O)O.
What is the InChIKey of (1R,2R,5S)-2-tert-butyl-5-hydroxycyclopentane-1-carboxylic acid?
The InChIKey is DKZGFYCKGAZEIZ-GJMOJQLCSA-N. The full InChI is InChI=1S/C10H18O3/c1-10(2,3)6-4-5-7(11)8(6)9(12)13/h6-8,11H,4-5H2,1-3H3,(H,12,13)/t6-,7+,8-/m1/s1.
What are the key properties of (1R,2R,5S)-2-tert-butyl-5-hydroxycyclopentane-1-carboxylic acid?
(1R,2R,5S)-2-tert-butyl-5-hydroxycyclopentane-1-carboxylic acid has a molecular weight of 186.25 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5S)-2-tert-butyl-5-hydroxycyclopentane-1-carboxylic acid is sourced from PubChem (CID 101376982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).