(1R,2R,3R)-2-ethyl-3-methoxycyclopropane-1-carboxylic acid

C7H12O3 — CID 55303285

IUPAC(1R,2R,3R)-2-ethyl-3-methoxycyclopropane-1-carboxylic acid
SMILESCC[C@H]1[C@@H](OC)[C@@H]1C(=O)O
InChIInChI=1S/C7H12O3/c1-3-4-5(7(8)9)6(4)10-2/h4-6H,3H2,1-2H3,(H,8,9)/t4-,5-,6-/m1/s1
InChIKeyPEJNVLSPSRHOAR-HSUXUTPPSA-N
MW144.17 g/mol
LogP0.74
Rot. Bonds3

About (1R,2R,3R)-2-ethyl-3-methoxycyclopropane-1-carboxylic acid

(1R,2R,3R)-2-ethyl-3-methoxycyclopropane-1-carboxylic acid (PubChem CID 55303285) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is (1R,2R,3R)-2-ethyl-3-methoxycyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name(1R,2R,3R)-2-ethyl-3-methoxycyclopropane-1-carboxylic acid
PubChem CID55303285
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name(1R,2R,3R)-2-ethyl-3-methoxycyclopropane-1-carboxylic acid
SMILESCC[C@H]1[C@@H](OC)[C@@H]1C(=O)O
InChIInChI=1S/C7H12O3/c1-3-4-5(7(8)9)6(4)10-2/h4-6H,3H2,1-2H3,(H,8,9)/t4-,5-,6-/m1/s1
InChIKeyPEJNVLSPSRHOAR-HSUXUTPPSA-N
XLogP0.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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 (1R,2R,3R)-2-ethyl-3-methoxycyclopropane-1-carboxylic acid?
The IUPAC name of (1R,2R,3R)-2-ethyl-3-methoxycyclopropane-1-carboxylic acid (CID 55303285) is (1R,2R,3R)-2-ethyl-3-methoxycyclopropane-1-carboxylic acid.
What is the SMILES notation for (1R,2R,3R)-2-ethyl-3-methoxycyclopropane-1-carboxylic acid?
The canonical SMILES for (1R,2R,3R)-2-ethyl-3-methoxycyclopropane-1-carboxylic acid is CC[C@H]1[C@@H](OC)[C@@H]1C(=O)O.
What is the InChIKey of (1R,2R,3R)-2-ethyl-3-methoxycyclopropane-1-carboxylic acid?
The InChIKey is PEJNVLSPSRHOAR-HSUXUTPPSA-N. The full InChI is InChI=1S/C7H12O3/c1-3-4-5(7(8)9)6(4)10-2/h4-6H,3H2,1-2H3,(H,8,9)/t4-,5-,6-/m1/s1.
What are the key properties of (1R,2R,3R)-2-ethyl-3-methoxycyclopropane-1-carboxylic acid?
(1R,2R,3R)-2-ethyl-3-methoxycyclopropane-1-carboxylic acid has a molecular weight of 144.17 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R)-2-ethyl-3-methoxycyclopropane-1-carboxylic acid is sourced from PubChem (CID 55303285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).