1-ethyl-2-propan-2-ylcyclopropane-1-carboxylic acid

C9H16O2 — CID 83826508

IUPAC1-ethyl-2-propan-2-ylcyclopropane-1-carboxylic acid
SMILESCCC1(C(=O)O)CC1C(C)C
InChIInChI=1S/C9H16O2/c1-4-9(8(10)11)5-7(9)6(2)3/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKeyDACCUPKEXJKBEU-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.14
Rot. Bonds3

About 1-ethyl-2-propan-2-ylcyclopropane-1-carboxylic acid

1-ethyl-2-propan-2-ylcyclopropane-1-carboxylic acid (PubChem CID 83826508) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 1-ethyl-2-propan-2-ylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-2-propan-2-ylcyclopropane-1-carboxylic acid
PubChem CID83826508
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name1-ethyl-2-propan-2-ylcyclopropane-1-carboxylic acid
SMILESCCC1(C(=O)O)CC1C(C)C
InChIInChI=1S/C9H16O2/c1-4-9(8(10)11)5-7(9)6(2)3/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKeyDACCUPKEXJKBEU-UHFFFAOYSA-N
XLogP2.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1R,2S)-1-(aminomethyl)-2-propan-2-ylcyclopropane-1-carboxylic acid
CID 92851533
(1S)-1-ethyl-2-fluorocyclopropane-1-carboxylic acid
CID 155897633
1-hydroxy-2-propan-2-ylcyclopropane-1-carboxylic acid
CID 20515751
trans-(1S,2R)-2-[(S)-amino(carboxy)methyl]-1-propylcyclopropane-1-carboxylic acid;hydrochloride
CID 71662085
1-(2-amino-2-oxoethyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid
CID 66599643
trans-(1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylic acid
CID 70637110
1-ethyl-2-propan-2-ylcycloheptane-1-carboxamide
CID 57084439
2-ethylsulfonyl-1-(hydroxymethyl)cyclopropane-1-carboxylic acid
CID 102568948
1-ethyl-1,2-di(propan-2-yl)cyclopropane
CID 140630902
1-ethyl-1-methyl-2-propan-2-ylcyclopropane
CID 91445155
1-ethyl-2-[methoxy(methyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 122670168
1-ethyl-4-methyl-2-propan-2-ylbicyclo[2.1.0]pentane
CID 123763181

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-propan-2-ylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-ethyl-2-propan-2-ylcyclopropane-1-carboxylic acid (CID 83826508) is 1-ethyl-2-propan-2-ylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-ethyl-2-propan-2-ylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-ethyl-2-propan-2-ylcyclopropane-1-carboxylic acid is CCC1(C(=O)O)CC1C(C)C.
What is the InChIKey of 1-ethyl-2-propan-2-ylcyclopropane-1-carboxylic acid?
The InChIKey is DACCUPKEXJKBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-9(8(10)11)5-7(9)6(2)3/h6-7H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 1-ethyl-2-propan-2-ylcyclopropane-1-carboxylic acid?
1-ethyl-2-propan-2-ylcyclopropane-1-carboxylic acid has a molecular weight of 156.22 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-propan-2-ylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 83826508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).