2-(4-ethyl-2-oxoimidazolidin-1-yl)cyclopropane-1-carboxylic acid

C9H14N2O3 — CID 116979754

IUPAC2-(4-ethyl-2-oxoimidazolidin-1-yl)cyclopropane-1-carboxylic acid
SMILESCCC1CN(C2CC2C(=O)O)C(=O)N1
InChIInChI=1S/C9H14N2O3/c1-2-5-4-11(9(14)10-5)7-3-6(7)8(12)13/h5-7H,2-4H2,1H3,(H,10,14)(H,12,13)
InChIKeyAQEPCPASOYCCRF-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.26
Rot. Bonds3

About 2-(4-ethyl-2-oxoimidazolidin-1-yl)cyclopropane-1-carboxylic acid

2-(4-ethyl-2-oxoimidazolidin-1-yl)cyclopropane-1-carboxylic acid (PubChem CID 116979754) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-(4-ethyl-2-oxoimidazolidin-1-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-ethyl-2-oxoimidazolidin-1-yl)cyclopropane-1-carboxylic acid
PubChem CID116979754
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2-(4-ethyl-2-oxoimidazolidin-1-yl)cyclopropane-1-carboxylic acid
SMILESCCC1CN(C2CC2C(=O)O)C(=O)N1
InChIInChI=1S/C9H14N2O3/c1-2-5-4-11(9(14)10-5)7-3-6(7)8(12)13/h5-7H,2-4H2,1H3,(H,10,14)(H,12,13)
InChIKeyAQEPCPASOYCCRF-UHFFFAOYSA-N
XLogP0.26
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-ethyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxylic acid
CID 116979822
2-[2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]cyclopropane-1-carboxylic acid
CID 116979766
2-[4-(5-bromothiophen-2-yl)-2-oxoimidazolidin-1-yl]cyclopropane-1-carboxylic acid
CID 116979765
3-(4-ethyl-2-oxoimidazolidin-1-yl)propanoic acid
CID 116979499
4-(4-ethyl-2-oxoimidazolidin-1-yl)borinane-1-carbonitrile
CID 145134659
4-ethyl-1-(2-sulfanylethyl)imidazolidin-2-one
CID 116979829
1-tert-butyl-4-ethylimidazolidin-2-one
CID 146336737
(1S,5R,6S)-8-methyl-8-azabicyclo[3.2.1]octane-6-carboxylic acid
CID 131859498
(1S,5R,7S)-2-ethyl-3-oxo-2-azabicyclo[3.2.1]octane-7-carboxylic acid
CID 129413536
(2S,11bS)-3-ethyl-9,10-dimethoxy-4-oxo-1,2,3,6,7,7a,8,9,10,11,11a,11b-dodecahydrobenzo[a]quinolizine-2-carboxylic acid
CID 51062041
(2R)-cyclobutane-1,2-dicarboxylic acid
CID 135193426
2-(2-methylpropyl)-5-oxopyrrolidine-3-carboxylic acid
CID 82602134

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-oxoimidazolidin-1-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(4-ethyl-2-oxoimidazolidin-1-yl)cyclopropane-1-carboxylic acid (CID 116979754) is 2-(4-ethyl-2-oxoimidazolidin-1-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(4-ethyl-2-oxoimidazolidin-1-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(4-ethyl-2-oxoimidazolidin-1-yl)cyclopropane-1-carboxylic acid is CCC1CN(C2CC2C(=O)O)C(=O)N1.
What is the InChIKey of 2-(4-ethyl-2-oxoimidazolidin-1-yl)cyclopropane-1-carboxylic acid?
The InChIKey is AQEPCPASOYCCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-2-5-4-11(9(14)10-5)7-3-6(7)8(12)13/h5-7H,2-4H2,1H3,(H,10,14)(H,12,13).
What are the key properties of 2-(4-ethyl-2-oxoimidazolidin-1-yl)cyclopropane-1-carboxylic acid?
2-(4-ethyl-2-oxoimidazolidin-1-yl)cyclopropane-1-carboxylic acid has a molecular weight of 198.22 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-oxoimidazolidin-1-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116979754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).