cis-(1R,2S)-2-methylcyclobutane-1-carboxylic acid

C6H10O2 — CID 13214069

IUPACcis-(1R,2S)-2-methylcyclobutane-1-carboxylic acid
SMILESC[C@H]1CC[C@H]1C(=O)O
InChIInChI=1S/C6H10O2/c1-4-2-3-5(4)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/t4-,5+/m0/s1
InChIKeyZQUWTFVQYAVBJZ-CRCLSJGQSA-N
MW114.14 g/mol
LogP1.12
Rot. Bonds1

About cis-(1R,2S)-2-methylcyclobutane-1-carboxylic acid

cis-(1R,2S)-2-methylcyclobutane-1-carboxylic acid (PubChem CID 13214069) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is cis-(1R,2S)-2-methylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-methylcyclobutane-1-carboxylic acid
PubChem CID13214069
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Namecis-(1R,2S)-2-methylcyclobutane-1-carboxylic acid
SMILESC[C@H]1CC[C@H]1C(=O)O
InChIInChI=1S/C6H10O2/c1-4-2-3-5(4)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/t4-,5+/m0/s1
InChIKeyZQUWTFVQYAVBJZ-CRCLSJGQSA-N
XLogP1.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-methylcyclobutane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-methylcyclobutane-1-carboxylic acid (CID 13214069) is cis-(1R,2S)-2-methylcyclobutane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-methylcyclobutane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-methylcyclobutane-1-carboxylic acid is C[C@H]1CC[C@H]1C(=O)O.
What is the InChIKey of cis-(1R,2S)-2-methylcyclobutane-1-carboxylic acid?
The InChIKey is ZQUWTFVQYAVBJZ-CRCLSJGQSA-N. The full InChI is InChI=1S/C6H10O2/c1-4-2-3-5(4)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/t4-,5+/m0/s1.
What are the key properties of cis-(1R,2S)-2-methylcyclobutane-1-carboxylic acid?
cis-(1R,2S)-2-methylcyclobutane-1-carboxylic acid has a molecular weight of 114.14 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-methylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 13214069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).