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

C9H14O4 — CID 10679112

IUPACcis-(1R,3R)-3-(carboxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid
SMILESCC1(C)[C@@H](CC(=O)O)C[C@H]1C(=O)O
InChIInChI=1S/C9H14O4/c1-9(2)5(4-7(10)11)3-6(9)8(12)13/h5-6H,3-4H2,1-2H3,(H,10,11)(H,12,13)/t5-,6+/m1/s1
InChIKeyLEVONNIFUFSRKZ-RITPCOANSA-N
MW186.21 g/mol
LogP1.21
Rot. Bonds3

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

cis-(1R,3R)-3-(carboxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid (PubChem CID 10679112) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is cis-(1R,3R)-3-(carboxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3R)-3-(carboxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid
PubChem CID10679112
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Namecis-(1R,3R)-3-(carboxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid
SMILESCC1(C)[C@@H](CC(=O)O)C[C@H]1C(=O)O
InChIInChI=1S/C9H14O4/c1-9(2)5(4-7(10)11)3-6(9)8(12)13/h5-6H,3-4H2,1-2H3,(H,10,11)(H,12,13)/t5-,6+/m1/s1
InChIKeyLEVONNIFUFSRKZ-RITPCOANSA-N
XLogP1.21
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cis-(1R,3R)-3-(carboxymethyl)-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

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-3-(carboxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid?
The IUPAC name of cis-(1R,3R)-3-(carboxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid (CID 10679112) is cis-(1R,3R)-3-(carboxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3R)-3-(carboxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3R)-3-(carboxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid is CC1(C)[C@@H](CC(=O)O)C[C@H]1C(=O)O.
What is the InChIKey of cis-(1R,3R)-3-(carboxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid?
The InChIKey is LEVONNIFUFSRKZ-RITPCOANSA-N. The full InChI is InChI=1S/C9H14O4/c1-9(2)5(4-7(10)11)3-6(9)8(12)13/h5-6H,3-4H2,1-2H3,(H,10,11)(H,12,13)/t5-,6+/m1/s1.
What are the key properties of cis-(1R,3R)-3-(carboxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid?
cis-(1R,3R)-3-(carboxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid has a molecular weight of 186.21 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-3-(carboxymethyl)-2,2-dimethylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 10679112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).