trans-(1S,2R)-2-(2-methylpropyl)cyclopropane-1-carboxylic acid

C8H14O2 — CID 94420067

IUPACtrans-(1S,2R)-2-(2-methylpropyl)cyclopropane-1-carboxylic acid
SMILESCC(C)C[C@@H]1C[C@@H]1C(=O)O
InChIInChI=1S/C8H14O2/c1-5(2)3-6-4-7(6)8(9)10/h5-7H,3-4H2,1-2H3,(H,9,10)/t6-,7+/m1/s1
InChIKeyXYATXWHMMPLPGT-RQJHMYQMSA-N
MW142.20 g/mol
LogP1.75
Rot. Bonds3

About trans-(1S,2R)-2-(2-methylpropyl)cyclopropane-1-carboxylic acid

trans-(1S,2R)-2-(2-methylpropyl)cyclopropane-1-carboxylic acid (PubChem CID 94420067) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is trans-(1S,2R)-2-(2-methylpropyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2R)-2-(2-methylpropyl)cyclopropane-1-carboxylic acid
PubChem CID94420067
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Nametrans-(1S,2R)-2-(2-methylpropyl)cyclopropane-1-carboxylic acid
SMILESCC(C)C[C@@H]1C[C@@H]1C(=O)O
InChIInChI=1S/C8H14O2/c1-5(2)3-6-4-7(6)8(9)10/h5-7H,3-4H2,1-2H3,(H,9,10)/t6-,7+/m1/s1
InChIKeyXYATXWHMMPLPGT-RQJHMYQMSA-N
XLogP1.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze trans-(1S,2R)-2-(2-methylpropyl)cyclopropane-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

2-(2-methylpropyl)-4-propylcyclohexane-1-carboxylic acid
CID 81020731
(3R,4S)-4-(2-methylpropyl)pyrrolidine-3-carboxylic acid
CID 15516932
4-(2-methylpropyl)oxolane-3-carboxylic acid
CID 84766287
5-(2-methylpropyl)azepane-4-carboxylic acid
CID 84669033
2-(3-amino-2-hydroxypropyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 166410338
trans-(1S,2R)-2-(hydroxymethyl)cyclopropane-1-carboxylic acid
CID 10654204
5,5-dimethyl-2-(2-methylpropyl)cyclohexane-1-carboxylic acid
CID 134223782
2-(2-oxoethyl)cyclopropane-1-carboxylic acid
CID 91091325
2-[2-(4-tert-butylphenyl)propyl]cyclopropane-1-carboxylic acid
CID 83928800
2-(2-thiophen-2-ylpropyl)cyclopropane-1-carboxylic acid
CID 83934845
1-methyl-2-(2-methylpropyl)cyclopropane
CID 54305717
5-(2-methylpropyl)-2-oxopiperidine-4-carboxylic acid
CID 165457686

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-(2-methylpropyl)cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1S,2R)-2-(2-methylpropyl)cyclopropane-1-carboxylic acid (CID 94420067) is trans-(1S,2R)-2-(2-methylpropyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2R)-2-(2-methylpropyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2R)-2-(2-methylpropyl)cyclopropane-1-carboxylic acid is CC(C)C[C@@H]1C[C@@H]1C(=O)O.
What is the InChIKey of trans-(1S,2R)-2-(2-methylpropyl)cyclopropane-1-carboxylic acid?
The InChIKey is XYATXWHMMPLPGT-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H14O2/c1-5(2)3-6-4-7(6)8(9)10/h5-7H,3-4H2,1-2H3,(H,9,10)/t6-,7+/m1/s1.
What are the key properties of trans-(1S,2R)-2-(2-methylpropyl)cyclopropane-1-carboxylic acid?
trans-(1S,2R)-2-(2-methylpropyl)cyclopropane-1-carboxylic acid has a molecular weight of 142.20 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-(2-methylpropyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 94420067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).