(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

Analyze (1R,2R,3R)-2-ethyl-3-methoxycyclopropane-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

(2R,3R)-3-ethylbicyclo[2.2.2]octane-2-carboxylic acid
CID 130834786
(1S,2S,3S)-2-ethyl-3-(hydroxymethyl)cyclopropane-1-carboxylic acid
CID 70002742
(1R,2R,3S)-2-chloro-3-ethylcyclopropane-1-carboxylic acid
CID 125452531
3-ethyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 144845988
(1S,2S,3S)-2-methoxy-3-propan-2-ylcyclopropane-1-carboxylic acid
CID 130765160
3,5-diethyl-2-methoxycarbonylcyclopentane-1-carboxylic acid
CID 21351497
methyl 2-ethyl-3-trimethylsilyloxycyclopropane-1-carboxylate
CID 15724251
2,5-diethyl-4-(methoxymethyl)oxolane-3-carboxylic acid
CID 21351479
3,5-diethyl-9-(methoxymethyl)tricyclo[5.2.1.02,6]decane-8-carboxylic acid
CID 21351604
5-hydroxy-6-methoxy-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 20605460
1-(2-ethyl-3-methoxycyclopentyl)propan-2-one
CID 155743266
2-ethyl-2-methoxycyclopropane-1-carboxylic acid
CID 58709426

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).