cis-(1R,3S)-3-(hydroxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid

C8H14O3 — CID 45084905

IUPACcis-(1R,3S)-3-(hydroxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid
SMILESCC1(C)[C@@H](CO)C[C@H]1C(=O)O
InChIInChI=1S/C8H14O3/c1-8(2)5(4-9)3-6(8)7(10)11/h5-6,9H,3-4H2,1-2H3,(H,10,11)/t5-,6+/m1/s1
InChIKeyUVNHICQQCWWSMK-RITPCOANSA-N
MW158.20 g/mol
LogP0.73
Rot. Bonds2

About cis-(1R,3S)-3-(hydroxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid

cis-(1R,3S)-3-(hydroxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid (PubChem CID 45084905) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is cis-(1R,3S)-3-(hydroxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-(hydroxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid
PubChem CID45084905
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Namecis-(1R,3S)-3-(hydroxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid
SMILESCC1(C)[C@@H](CO)C[C@H]1C(=O)O
InChIInChI=1S/C8H14O3/c1-8(2)5(4-9)3-6(8)7(10)11/h5-6,9H,3-4H2,1-2H3,(H,10,11)/t5-,6+/m1/s1
InChIKeyUVNHICQQCWWSMK-RITPCOANSA-N
XLogP0.73
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cis-(1R,3S)-3-(hydroxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1S,3S)-2,2-dimethyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 68592904
3-(dimethylcarbamoyl)-2,2-dimethylcyclobutane-1-carboxylic acid
CID 77387151
2,2-dimethylcyclopentane-1,3-dicarboxylic acid
CID 5315650
2-[(1R,3R)-3-acetyl-2,2-dimethylcyclobutyl]acetaldehyde
CID 12600914
3-[(1R,3R)-3-acetyl-2,2-dimethylcyclobutyl]propanoic acid
CID 40551373
2-[(1R,3R)-3-(hydroxymethyl)-2,2-dimethylcyclobutyl]ethanol
CID 10725629
(2,2-dimethyl-3-propan-2-ylcyclobutyl)methanol
CID 175095277
2-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2,2-dimethylcyclobutyl]acetic acid
CID 5458250
cis-(1S,3S)-3-(hydroxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 67120920
3-[(E)-N-(carbamoylamino)-C-methylcarbonimidoyl]-2,2-dimethylcyclobutane-1-carboxylic acid
CID 23424248
(2R)-2-ethyl-2-methylcyclopropane-1-carboxylic acid
CID 134970541
(1R)-2,2,3-trimethylcyclopentane-1-carboxylic acid
CID 143623982

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(hydroxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-(hydroxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid (CID 45084905) is cis-(1R,3S)-3-(hydroxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-(hydroxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-(hydroxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid is CC1(C)[C@@H](CO)C[C@H]1C(=O)O.
What is the InChIKey of cis-(1R,3S)-3-(hydroxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid?
The InChIKey is UVNHICQQCWWSMK-RITPCOANSA-N. The full InChI is InChI=1S/C8H14O3/c1-8(2)5(4-9)3-6(8)7(10)11/h5-6,9H,3-4H2,1-2H3,(H,10,11)/t5-,6+/m1/s1.
What are the key properties of cis-(1R,3S)-3-(hydroxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid?
cis-(1R,3S)-3-(hydroxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid has a molecular weight of 158.20 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(hydroxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 45084905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).