(1R,2S,3S,4S)-2,3,4-trimethylcyclopentane-1-carboxylic acid

C9H16O2 — CID 44722597

IUPAC(1R,2S,3S,4S)-2,3,4-trimethylcyclopentane-1-carboxylic acid
SMILESC[C@@H]1[C@H](C)[C@H](C(=O)O)C[C@@H]1C
InChIInChI=1S/C9H16O2/c1-5-4-8(9(10)11)7(3)6(5)2/h5-8H,4H2,1-3H3,(H,10,11)/t5-,6-,7-,8+/m0/s1
InChIKeyOIYJXFRCEZUBTG-DKXJUACHSA-N
MW156.22 g/mol
LogP2.00
Rot. Bonds1

About (1R,2S,3S,4S)-2,3,4-trimethylcyclopentane-1-carboxylic acid

(1R,2S,3S,4S)-2,3,4-trimethylcyclopentane-1-carboxylic acid (PubChem CID 44722597) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (1R,2S,3S,4S)-2,3,4-trimethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(1R,2S,3S,4S)-2,3,4-trimethylcyclopentane-1-carboxylic acid
PubChem CID44722597
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(1R,2S,3S,4S)-2,3,4-trimethylcyclopentane-1-carboxylic acid
SMILESC[C@@H]1[C@H](C)[C@H](C(=O)O)C[C@@H]1C
InChIInChI=1S/C9H16O2/c1-5-4-8(9(10)11)7(3)6(5)2/h5-8H,4H2,1-3H3,(H,10,11)/t5-,6-,7-,8+/m0/s1
InChIKeyOIYJXFRCEZUBTG-DKXJUACHSA-N
XLogP2.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S,4S)-2,3,4-trimethylcyclopentane-1-carboxylic acid?
The IUPAC name of (1R,2S,3S,4S)-2,3,4-trimethylcyclopentane-1-carboxylic acid (CID 44722597) is (1R,2S,3S,4S)-2,3,4-trimethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for (1R,2S,3S,4S)-2,3,4-trimethylcyclopentane-1-carboxylic acid?
The canonical SMILES for (1R,2S,3S,4S)-2,3,4-trimethylcyclopentane-1-carboxylic acid is C[C@@H]1[C@H](C)[C@H](C(=O)O)C[C@@H]1C.
What is the InChIKey of (1R,2S,3S,4S)-2,3,4-trimethylcyclopentane-1-carboxylic acid?
The InChIKey is OIYJXFRCEZUBTG-DKXJUACHSA-N. The full InChI is InChI=1S/C9H16O2/c1-5-4-8(9(10)11)7(3)6(5)2/h5-8H,4H2,1-3H3,(H,10,11)/t5-,6-,7-,8+/m0/s1.
What are the key properties of (1R,2S,3S,4S)-2,3,4-trimethylcyclopentane-1-carboxylic acid?
(1R,2S,3S,4S)-2,3,4-trimethylcyclopentane-1-carboxylic acid has a molecular weight of 156.22 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S,4S)-2,3,4-trimethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 44722597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).