methyl 5-(5-methyl-2-oxoimidazolidin-4-yl)pentanoate

C10H18N2O3 — CID 101336229

IUPACmethyl 5-(5-methyl-2-oxoimidazolidin-4-yl)pentanoate
SMILESCOC(=O)CCCCC1NC(=O)NC1C
InChIInChI=1S/C10H18N2O3/c1-7-8(12-10(14)11-7)5-3-4-6-9(13)15-2/h7-8H,3-6H2,1-2H3,(H2,11,12,14)
InChIKeyFCIITCDHMRCMTN-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.79
Rot. Bonds5

About methyl 5-(5-methyl-2-oxoimidazolidin-4-yl)pentanoate

methyl 5-(5-methyl-2-oxoimidazolidin-4-yl)pentanoate (PubChem CID 101336229) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is methyl 5-(5-methyl-2-oxoimidazolidin-4-yl)pentanoate.

Molecular Properties

Compound Namemethyl 5-(5-methyl-2-oxoimidazolidin-4-yl)pentanoate
PubChem CID101336229
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Namemethyl 5-(5-methyl-2-oxoimidazolidin-4-yl)pentanoate
SMILESCOC(=O)CCCCC1NC(=O)NC1C
InChIInChI=1S/C10H18N2O3/c1-7-8(12-10(14)11-7)5-3-4-6-9(13)15-2/h7-8H,3-6H2,1-2H3,(H2,11,12,14)
InChIKeyFCIITCDHMRCMTN-UHFFFAOYSA-N
XLogP0.79
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(5-methyl-2-oxoimidazolidin-4-yl)pentanoate?
The IUPAC name of methyl 5-(5-methyl-2-oxoimidazolidin-4-yl)pentanoate (CID 101336229) is methyl 5-(5-methyl-2-oxoimidazolidin-4-yl)pentanoate.
What is the SMILES notation for methyl 5-(5-methyl-2-oxoimidazolidin-4-yl)pentanoate?
The canonical SMILES for methyl 5-(5-methyl-2-oxoimidazolidin-4-yl)pentanoate is COC(=O)CCCCC1NC(=O)NC1C.
What is the InChIKey of methyl 5-(5-methyl-2-oxoimidazolidin-4-yl)pentanoate?
The InChIKey is FCIITCDHMRCMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7-8(12-10(14)11-7)5-3-4-6-9(13)15-2/h7-8H,3-6H2,1-2H3,(H2,11,12,14).
What are the key properties of methyl 5-(5-methyl-2-oxoimidazolidin-4-yl)pentanoate?
methyl 5-(5-methyl-2-oxoimidazolidin-4-yl)pentanoate has a molecular weight of 214.26 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(5-methyl-2-oxoimidazolidin-4-yl)pentanoate is sourced from PubChem (CID 101336229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).