3-[4-(oxan-4-yl)-2-oxoimidazolidin-1-yl]butanoic acid

C12H20N2O4 — CID 116979678

IUPAC3-[4-(oxan-4-yl)-2-oxoimidazolidin-1-yl]butanoic acid
SMILESCC(CC(=O)O)N1CC(C2CCOCC2)NC1=O
InChIInChI=1S/C12H20N2O4/c1-8(6-11(15)16)14-7-10(13-12(14)17)9-2-4-18-5-3-9/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyGZTMONJPECBVFD-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.67
Rot. Bonds4

About 3-[4-(oxan-4-yl)-2-oxoimidazolidin-1-yl]butanoic acid

3-[4-(oxan-4-yl)-2-oxoimidazolidin-1-yl]butanoic acid (PubChem CID 116979678) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-[4-(oxan-4-yl)-2-oxoimidazolidin-1-yl]butanoic acid.

Molecular Properties

Compound Name3-[4-(oxan-4-yl)-2-oxoimidazolidin-1-yl]butanoic acid
PubChem CID116979678
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name3-[4-(oxan-4-yl)-2-oxoimidazolidin-1-yl]butanoic acid
SMILESCC(CC(=O)O)N1CC(C2CCOCC2)NC1=O
InChIInChI=1S/C12H20N2O4/c1-8(6-11(15)16)14-7-10(13-12(14)17)9-2-4-18-5-3-9/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyGZTMONJPECBVFD-UHFFFAOYSA-N
XLogP0.67
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(oxan-4-yl)-2-oxoimidazolidin-1-yl]butanoic acid?
The IUPAC name of 3-[4-(oxan-4-yl)-2-oxoimidazolidin-1-yl]butanoic acid (CID 116979678) is 3-[4-(oxan-4-yl)-2-oxoimidazolidin-1-yl]butanoic acid.
What is the SMILES notation for 3-[4-(oxan-4-yl)-2-oxoimidazolidin-1-yl]butanoic acid?
The canonical SMILES for 3-[4-(oxan-4-yl)-2-oxoimidazolidin-1-yl]butanoic acid is CC(CC(=O)O)N1CC(C2CCOCC2)NC1=O.
What is the InChIKey of 3-[4-(oxan-4-yl)-2-oxoimidazolidin-1-yl]butanoic acid?
The InChIKey is GZTMONJPECBVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-8(6-11(15)16)14-7-10(13-12(14)17)9-2-4-18-5-3-9/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 3-[4-(oxan-4-yl)-2-oxoimidazolidin-1-yl]butanoic acid?
3-[4-(oxan-4-yl)-2-oxoimidazolidin-1-yl]butanoic acid has a molecular weight of 256.30 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(oxan-4-yl)-2-oxoimidazolidin-1-yl]butanoic acid is sourced from PubChem (CID 116979678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).