2-ethyl-2-methoxycyclopropane-1-carboxylic acid

C7H12O3 — CID 58709426

IUPAC2-ethyl-2-methoxycyclopropane-1-carboxylic acid
SMILESCCC1(OC)CC1C(=O)O
InChIInChI=1S/C7H12O3/c1-3-7(10-2)4-5(7)6(8)9/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyRUNUGNVTBVOVKC-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.89
Rot. Bonds3

About 2-ethyl-2-methoxycyclopropane-1-carboxylic acid

2-ethyl-2-methoxycyclopropane-1-carboxylic acid (PubChem CID 58709426) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-ethyl-2-methoxycyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-2-methoxycyclopropane-1-carboxylic acid
PubChem CID58709426
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name2-ethyl-2-methoxycyclopropane-1-carboxylic acid
SMILESCCC1(OC)CC1C(=O)O
InChIInChI=1S/C7H12O3/c1-3-7(10-2)4-5(7)6(8)9/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyRUNUGNVTBVOVKC-UHFFFAOYSA-N
XLogP0.89
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 ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-ethyl-2-methylcyclopropane-1-carboxylic acid
CID 134970541
2,2-diethylcyclohexane-1,4-dicarboxylic acid
CID 139838187
2-bromo-2-ethoxycarbonylcyclopropane-1-carboxylic acid
CID 139621481
2-methoxycarbonylspiro[2.2]pentane-5-carboxylic acid
CID 82598117
trans-methyl (1S,2R)-2-ethyl-2-methylcyclopropane-1-carboxylate
CID 129452445
(1R,2R,3R)-2-ethyl-3-methoxycyclopropane-1-carboxylic acid
CID 55303285
benzene;2,2-dimethylcyclopropane-1-carboxylic acid
CID 144977859
4,4-diethylpyrrolidine-3-carboxylic acid
CID 63939611
2-butan-2-yl-2-methylcyclopropane-1-carboxylic acid
CID 62388831
1-ethyl-5-hydroxy-4-methoxy-2,7-dioxabicyclo[4.1.0]heptane-3-carboxylic acid
CID 129095012
2,2-ditert-butylcyclopropane-1-carboxylic acid
CID 177269081
(2R)-6-methoxyspiro[2.5]octane-2-carboxylic acid
CID 98041240

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methoxycyclopropane-1-carboxylic acid?
The IUPAC name of 2-ethyl-2-methoxycyclopropane-1-carboxylic acid (CID 58709426) is 2-ethyl-2-methoxycyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-ethyl-2-methoxycyclopropane-1-carboxylic acid?
The canonical SMILES for 2-ethyl-2-methoxycyclopropane-1-carboxylic acid is CCC1(OC)CC1C(=O)O.
What is the InChIKey of 2-ethyl-2-methoxycyclopropane-1-carboxylic acid?
The InChIKey is RUNUGNVTBVOVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-3-7(10-2)4-5(7)6(8)9/h5H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 2-ethyl-2-methoxycyclopropane-1-carboxylic acid?
2-ethyl-2-methoxycyclopropane-1-carboxylic acid has a molecular weight of 144.17 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methoxycyclopropane-1-carboxylic acid is sourced from PubChem (CID 58709426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).