methyl 3-(4-oxoimidazolidin-2-yl)propanoate

C7H12N2O3 — CID 10464764

IUPACmethyl 3-(4-oxoimidazolidin-2-yl)propanoate
SMILESCOC(=O)CCC1NCC(=O)N1
InChIInChI=1S/C7H12N2O3/c1-12-7(11)3-2-5-8-4-6(10)9-5/h5,8H,2-4H2,1H3,(H,9,10)
InChIKeyHYNKLFNHDJIETA-UHFFFAOYSA-N
MW172.18 g/mol
LogP-1.01
Rot. Bonds3

About methyl 3-(4-oxoimidazolidin-2-yl)propanoate

methyl 3-(4-oxoimidazolidin-2-yl)propanoate (PubChem CID 10464764) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is methyl 3-(4-oxoimidazolidin-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-oxoimidazolidin-2-yl)propanoate
PubChem CID10464764
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Namemethyl 3-(4-oxoimidazolidin-2-yl)propanoate
SMILESCOC(=O)CCC1NCC(=O)N1
InChIInChI=1S/C7H12N2O3/c1-12-7(11)3-2-5-8-4-6(10)9-5/h5,8H,2-4H2,1H3,(H,9,10)
InChIKeyHYNKLFNHDJIETA-UHFFFAOYSA-N
XLogP-1.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethoxypropyl)imidazolidin-4-one
CID 123345095
2-undecylimidazolidin-4-one
CID 175066208
methyl 3-[(3S,6R)-6-methylpiperidin-3-yl]propanoate
CID 155820793
methyl (2S,3S)-2-(3-methoxy-3-oxopropyl)pyrrolidine-3-carboxylate
CID 11769862
methyl 3-(2-oxo-1,3-dihydroindol-3-yl)propanoate
CID 14903583
methyl 5-(2-oxoimidazolidin-4-yl)pentanoate
CID 101336228
methyl 3-[4-(3,4-dichlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]propanoate
CID 67005260
methyl 3-[(2R)-thiiran-2-yl]propanoate
CID 101021793
methyl 3-(oxan-4-yl)propanoate
CID 55296577
methyl 2-[(2S)-5-oxopyrrolidin-2-yl]acetate
CID 10877378
methyl 3-[(1S)-cyclopent-2-en-1-yl]propanoate
CID 125474628
methyl 3-(2-aminocyclopentyl)propanoate
CID 105434759

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-oxoimidazolidin-2-yl)propanoate?
The IUPAC name of methyl 3-(4-oxoimidazolidin-2-yl)propanoate (CID 10464764) is methyl 3-(4-oxoimidazolidin-2-yl)propanoate.
What is the SMILES notation for methyl 3-(4-oxoimidazolidin-2-yl)propanoate?
The canonical SMILES for methyl 3-(4-oxoimidazolidin-2-yl)propanoate is COC(=O)CCC1NCC(=O)N1.
What is the InChIKey of methyl 3-(4-oxoimidazolidin-2-yl)propanoate?
The InChIKey is HYNKLFNHDJIETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-12-7(11)3-2-5-8-4-6(10)9-5/h5,8H,2-4H2,1H3,(H,9,10).
What are the key properties of methyl 3-(4-oxoimidazolidin-2-yl)propanoate?
methyl 3-(4-oxoimidazolidin-2-yl)propanoate has a molecular weight of 172.18 g/mol, XLogP of -1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-oxoimidazolidin-2-yl)propanoate is sourced from PubChem (CID 10464764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).