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

C8H14N2O3 — CID 116979499

IUPAC3-(4-ethyl-2-oxoimidazolidin-1-yl)propanoic acid
SMILESCCC1CN(CCC(=O)O)C(=O)N1
InChIInChI=1S/C8H14N2O3/c1-2-6-5-10(8(13)9-6)4-3-7(11)12/h6H,2-5H2,1H3,(H,9,13)(H,11,12)
InChIKeySNIABFFIQYZWOV-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.26
Rot. Bonds4

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

3-(4-ethyl-2-oxoimidazolidin-1-yl)propanoic acid (PubChem CID 116979499) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 3-(4-ethyl-2-oxoimidazolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-ethyl-2-oxoimidazolidin-1-yl)propanoic acid
PubChem CID116979499
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name3-(4-ethyl-2-oxoimidazolidin-1-yl)propanoic acid
SMILESCCC1CN(CCC(=O)O)C(=O)N1
InChIInChI=1S/C8H14N2O3/c1-2-6-5-10(8(13)9-6)4-3-7(11)12/h6H,2-5H2,1H3,(H,9,13)(H,11,12)
InChIKeySNIABFFIQYZWOV-UHFFFAOYSA-N
XLogP0.26
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-2-oxoimidazolidin-1-yl)propanoic acid?
The IUPAC name of 3-(4-ethyl-2-oxoimidazolidin-1-yl)propanoic acid (CID 116979499) is 3-(4-ethyl-2-oxoimidazolidin-1-yl)propanoic acid.
What is the SMILES notation for 3-(4-ethyl-2-oxoimidazolidin-1-yl)propanoic acid?
The canonical SMILES for 3-(4-ethyl-2-oxoimidazolidin-1-yl)propanoic acid is CCC1CN(CCC(=O)O)C(=O)N1.
What is the InChIKey of 3-(4-ethyl-2-oxoimidazolidin-1-yl)propanoic acid?
The InChIKey is SNIABFFIQYZWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-2-6-5-10(8(13)9-6)4-3-7(11)12/h6H,2-5H2,1H3,(H,9,13)(H,11,12).
What are the key properties of 3-(4-ethyl-2-oxoimidazolidin-1-yl)propanoic acid?
3-(4-ethyl-2-oxoimidazolidin-1-yl)propanoic acid has a molecular weight of 186.21 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-2-oxoimidazolidin-1-yl)propanoic acid is sourced from PubChem (CID 116979499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).