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

C9H16N2O3 — CID 101336228

IUPACmethyl 5-(2-oxoimidazolidin-4-yl)pentanoate
SMILESCOC(=O)CCCCC1CNC(=O)N1
InChIInChI=1S/C9H16N2O3/c1-14-8(12)5-3-2-4-7-6-10-9(13)11-7/h7H,2-6H2,1H3,(H2,10,11,13)
InChIKeyDSRAABMMHDGNEN-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.40
Rot. Bonds5

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

methyl 5-(2-oxoimidazolidin-4-yl)pentanoate (PubChem CID 101336228) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is methyl 5-(2-oxoimidazolidin-4-yl)pentanoate.

Molecular Properties

Compound Namemethyl 5-(2-oxoimidazolidin-4-yl)pentanoate
PubChem CID101336228
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Namemethyl 5-(2-oxoimidazolidin-4-yl)pentanoate
SMILESCOC(=O)CCCCC1CNC(=O)N1
InChIInChI=1S/C9H16N2O3/c1-14-8(12)5-3-2-4-7-6-10-9(13)11-7/h7H,2-6H2,1H3,(H2,10,11,13)
InChIKeyDSRAABMMHDGNEN-UHFFFAOYSA-N
XLogP0.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.40
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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Related Compounds

methyl 5-(5-methyl-2-oxoimidazolidin-4-yl)pentanoate
CID 101336229
methyl 8-[4-(2-methoxy-2-oxoethyl)cyclohexyl]octanoate
CID 4068552
methyl 5-[(3aR,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate
CID 97103871
4,9,14-tris[2-(methylamino)ethyl]-1,3,6,8,11,13-hexazacyclopentadecane-2,7,12-trione
CID 59409014
methyl 5-(2,3,4,5-tetramethylcyclopentyl)pentanoate
CID 59909521
methyl 5-[(3aS,4S,5S,6aR)-2,5-dioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate
CID 153445017
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl hexanedioate;stannane
CID 173290076
dimethyl tricosanedioate
CID 12632762
dimethyl dotriacontanedioate
CID 14325565
dimethyl hexanedioate;λ2-stannane
CID 173290075
methyl 4-piperidin-2-ylbutanoate;hydrochloride
CID 66772062

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-oxoimidazolidin-4-yl)pentanoate?
The IUPAC name of methyl 5-(2-oxoimidazolidin-4-yl)pentanoate (CID 101336228) is methyl 5-(2-oxoimidazolidin-4-yl)pentanoate.
What is the SMILES notation for methyl 5-(2-oxoimidazolidin-4-yl)pentanoate?
The canonical SMILES for methyl 5-(2-oxoimidazolidin-4-yl)pentanoate is COC(=O)CCCCC1CNC(=O)N1.
What is the InChIKey of methyl 5-(2-oxoimidazolidin-4-yl)pentanoate?
The InChIKey is DSRAABMMHDGNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-14-8(12)5-3-2-4-7-6-10-9(13)11-7/h7H,2-6H2,1H3,(H2,10,11,13).
What are the key properties of methyl 5-(2-oxoimidazolidin-4-yl)pentanoate?
methyl 5-(2-oxoimidazolidin-4-yl)pentanoate has a molecular weight of 200.24 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-oxoimidazolidin-4-yl)pentanoate is sourced from PubChem (CID 101336228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).