methyl 3-[3-(3-methoxy-3-oxopropyl)imidazolidin-1-yl]propanoate

C11H20N2O4 — CID 139659011

IUPACmethyl 3-[3-(3-methoxy-3-oxopropyl)imidazolidin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(CCC(=O)OC)C1
InChIInChI=1S/C11H20N2O4/c1-16-10(14)3-5-12-7-8-13(9-12)6-4-11(15)17-2/h3-9H2,1-2H3
InChIKeyZKBPIPRTRJRLJD-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.31
Rot. Bonds6

About methyl 3-[3-(3-methoxy-3-oxopropyl)imidazolidin-1-yl]propanoate

methyl 3-[3-(3-methoxy-3-oxopropyl)imidazolidin-1-yl]propanoate (PubChem CID 139659011) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl 3-[3-(3-methoxy-3-oxopropyl)imidazolidin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-(3-methoxy-3-oxopropyl)imidazolidin-1-yl]propanoate
PubChem CID139659011
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Namemethyl 3-[3-(3-methoxy-3-oxopropyl)imidazolidin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(CCC(=O)OC)C1
InChIInChI=1S/C11H20N2O4/c1-16-10(14)3-5-12-7-8-13(9-12)6-4-11(15)17-2/h3-9H2,1-2H3
InChIKeyZKBPIPRTRJRLJD-UHFFFAOYSA-N
XLogP-0.31
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(3-methoxy-3-oxopropyl)imidazolidin-1-yl]propanoate?
The IUPAC name of methyl 3-[3-(3-methoxy-3-oxopropyl)imidazolidin-1-yl]propanoate (CID 139659011) is methyl 3-[3-(3-methoxy-3-oxopropyl)imidazolidin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[3-(3-methoxy-3-oxopropyl)imidazolidin-1-yl]propanoate?
The canonical SMILES for methyl 3-[3-(3-methoxy-3-oxopropyl)imidazolidin-1-yl]propanoate is COC(=O)CCN1CCN(CCC(=O)OC)C1.
What is the InChIKey of methyl 3-[3-(3-methoxy-3-oxopropyl)imidazolidin-1-yl]propanoate?
The InChIKey is ZKBPIPRTRJRLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-16-10(14)3-5-12-7-8-13(9-12)6-4-11(15)17-2/h3-9H2,1-2H3.
What are the key properties of methyl 3-[3-(3-methoxy-3-oxopropyl)imidazolidin-1-yl]propanoate?
methyl 3-[3-(3-methoxy-3-oxopropyl)imidazolidin-1-yl]propanoate has a molecular weight of 244.29 g/mol, XLogP of -0.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(3-methoxy-3-oxopropyl)imidazolidin-1-yl]propanoate is sourced from PubChem (CID 139659011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).