cis-(1R,2S)-2-(2-methoxyethyl)cyclopropane-1-carboxylic acid

C7H12O3 — CID 154578290

IUPACcis-(1R,2S)-2-(2-methoxyethyl)cyclopropane-1-carboxylic acid
SMILESCOCC[C@@H]1C[C@H]1C(=O)O
InChIInChI=1S/C7H12O3/c1-10-3-2-5-4-6(5)7(8)9/h5-6H,2-4H2,1H3,(H,8,9)/t5-,6-/m1/s1
InChIKeyDUWSZQGLLONERU-PHDIDXHHSA-N
MW144.17 g/mol
LogP0.74
Rot. Bonds4

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

cis-(1R,2S)-2-(2-methoxyethyl)cyclopropane-1-carboxylic acid (PubChem CID 154578290) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is cis-(1R,2S)-2-(2-methoxyethyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-(2-methoxyethyl)cyclopropane-1-carboxylic acid
PubChem CID154578290
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Namecis-(1R,2S)-2-(2-methoxyethyl)cyclopropane-1-carboxylic acid
SMILESCOCC[C@@H]1C[C@H]1C(=O)O
InChIInChI=1S/C7H12O3/c1-10-3-2-5-4-6(5)7(8)9/h5-6H,2-4H2,1H3,(H,8,9)/t5-,6-/m1/s1
InChIKeyDUWSZQGLLONERU-PHDIDXHHSA-N
XLogP0.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(2-methoxyethyl)cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-(2-methoxyethyl)cyclopropane-1-carboxylic acid (CID 154578290) is cis-(1R,2S)-2-(2-methoxyethyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-(2-methoxyethyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-(2-methoxyethyl)cyclopropane-1-carboxylic acid is COCC[C@@H]1C[C@H]1C(=O)O.
What is the InChIKey of cis-(1R,2S)-2-(2-methoxyethyl)cyclopropane-1-carboxylic acid?
The InChIKey is DUWSZQGLLONERU-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H12O3/c1-10-3-2-5-4-6(5)7(8)9/h5-6H,2-4H2,1H3,(H,8,9)/t5-,6-/m1/s1.
What are the key properties of cis-(1R,2S)-2-(2-methoxyethyl)cyclopropane-1-carboxylic acid?
cis-(1R,2S)-2-(2-methoxyethyl)cyclopropane-1-carboxylic acid has a molecular weight of 144.17 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(2-methoxyethyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 154578290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).