3-(4-ethyl-3-methyl-2-oxoimidazolidin-1-yl)propanoic acid

C9H16N2O3 — CID 116982028

IUPAC3-(4-ethyl-3-methyl-2-oxoimidazolidin-1-yl)propanoic acid
SMILESCCC1CN(CCC(=O)O)C(=O)N1C
InChIInChI=1S/C9H16N2O3/c1-3-7-6-11(5-4-8(12)13)9(14)10(7)2/h7H,3-6H2,1-2H3,(H,12,13)
InChIKeyRMUBAEAXEBFNDN-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.61
Rot. Bonds4

About 3-(4-ethyl-3-methyl-2-oxoimidazolidin-1-yl)propanoic acid

3-(4-ethyl-3-methyl-2-oxoimidazolidin-1-yl)propanoic acid (PubChem CID 116982028) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-(4-ethyl-3-methyl-2-oxoimidazolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-ethyl-3-methyl-2-oxoimidazolidin-1-yl)propanoic acid
PubChem CID116982028
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name3-(4-ethyl-3-methyl-2-oxoimidazolidin-1-yl)propanoic acid
SMILESCCC1CN(CCC(=O)O)C(=O)N1C
InChIInChI=1S/C9H16N2O3/c1-3-7-6-11(5-4-8(12)13)9(14)10(7)2/h7H,3-6H2,1-2H3,(H,12,13)
InChIKeyRMUBAEAXEBFNDN-UHFFFAOYSA-N
XLogP0.61
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-methyl-4-(2-methylpropyl)-2-oxoimidazolidin-1-yl]propanoic acid
CID 116982030
methyl 3-(4-ethyl-3-methyl-2-oxoimidazolidin-1-yl)propanoate
CID 116982594
4-ethyl-3-methyl-1-[2-(methylamino)ethyl]imidazolidin-2-one
CID 116981220
4-ethyl-1,3-dimethylimidazolidin-2-one
CID 18386713
3-(4-ethyl-2-oxoimidazolidin-1-yl)propanoic acid
CID 116979499
3-[3-methyl-4-(3-methylphenyl)-2-oxoimidazolidin-1-yl]propanoic acid
CID 116982044
3-[4-(4-bromothiophen-2-yl)-3-methyl-2-oxoimidazolidin-1-yl]propanoic acid
CID 116982042
4-ethyl-3-methyl-1-[2-(1-methylpiperazin-2-yl)ethyl]imidazolidin-2-one
CID 116982826
3-methyl-4-propyl-1-(2-sulfanylethyl)imidazolidin-2-one
CID 116982231
3-(3-ethyl-4-oxopiperidin-1-yl)propanoic acid
CID 114509620
methyl 3-(3,4-dimethyl-2-oxoimidazolidin-1-yl)propanoate
CID 116982599
3-(2,5-diethylpiperazin-1-yl)propanoic acid
CID 64978721

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-3-methyl-2-oxoimidazolidin-1-yl)propanoic acid?
The IUPAC name of 3-(4-ethyl-3-methyl-2-oxoimidazolidin-1-yl)propanoic acid (CID 116982028) is 3-(4-ethyl-3-methyl-2-oxoimidazolidin-1-yl)propanoic acid.
What is the SMILES notation for 3-(4-ethyl-3-methyl-2-oxoimidazolidin-1-yl)propanoic acid?
The canonical SMILES for 3-(4-ethyl-3-methyl-2-oxoimidazolidin-1-yl)propanoic acid is CCC1CN(CCC(=O)O)C(=O)N1C.
What is the InChIKey of 3-(4-ethyl-3-methyl-2-oxoimidazolidin-1-yl)propanoic acid?
The InChIKey is RMUBAEAXEBFNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-3-7-6-11(5-4-8(12)13)9(14)10(7)2/h7H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 3-(4-ethyl-3-methyl-2-oxoimidazolidin-1-yl)propanoic acid?
3-(4-ethyl-3-methyl-2-oxoimidazolidin-1-yl)propanoic acid has a molecular weight of 200.24 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-3-methyl-2-oxoimidazolidin-1-yl)propanoic acid is sourced from PubChem (CID 116982028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).