methyl 3-(3,4-dimethyl-2-oxoimidazolidin-1-yl)propanoate

C9H16N2O3 — CID 116982599

IUPACmethyl 3-(3,4-dimethyl-2-oxoimidazolidin-1-yl)propanoate
SMILESCOC(=O)CCN1CC(C)N(C)C1=O
InChIInChI=1S/C9H16N2O3/c1-7-6-11(9(13)10(7)2)5-4-8(12)14-3/h7H,4-6H2,1-3H3
InChIKeyJPRLFKVEPQRGSJ-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.31
Rot. Bonds3

About methyl 3-(3,4-dimethyl-2-oxoimidazolidin-1-yl)propanoate

methyl 3-(3,4-dimethyl-2-oxoimidazolidin-1-yl)propanoate (PubChem CID 116982599) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is methyl 3-(3,4-dimethyl-2-oxoimidazolidin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(3,4-dimethyl-2-oxoimidazolidin-1-yl)propanoate
PubChem CID116982599
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Namemethyl 3-(3,4-dimethyl-2-oxoimidazolidin-1-yl)propanoate
SMILESCOC(=O)CCN1CC(C)N(C)C1=O
InChIInChI=1S/C9H16N2O3/c1-7-6-11(9(13)10(7)2)5-4-8(12)14-3/h7H,4-6H2,1-3H3
InChIKeyJPRLFKVEPQRGSJ-UHFFFAOYSA-N
XLogP0.31
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(4-ethyl-3-methyl-2-oxoimidazolidin-1-yl)propanoate
CID 116982594
methyl 3-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)propanoate
CID 116982611
methyl 3-(2-oxo-4-propan-2-ylimidazolidin-1-yl)propanoate
CID 116980354
methyl 3-(4-tert-butyl-2-oxoimidazolidin-1-yl)propanoate
CID 116980353
1-(3-aminobutyl)-3,4-dimethylimidazolidin-2-one
CID 116981578
methyl 3-(4-methyl-2,6-dioxopiperidin-1-yl)propanoate
CID 79506636
methyl 3-[(3S)-3-bromo-2-oxopyrrolidin-1-yl]propanoate
CID 124508781
methyl 3-(2,6-dimethylpiperidin-1-yl)propanoate
CID 14810577
methyl 2-(4-tert-butyl-3-methyl-2-oxoimidazolidin-1-yl)acetate
CID 116982564
methyl 3-(3-amino-2,3-dihydroindol-1-yl)propanoate
CID 70997252
1-hydroxy-3,4-dimethylimidazolidin-2-one
CID 154468014
methyl 3-[4-(2-methoxy-2-oxoethyl)-3-methylpiperazin-1-yl]propanoate
CID 75443753

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,4-dimethyl-2-oxoimidazolidin-1-yl)propanoate?
The IUPAC name of methyl 3-(3,4-dimethyl-2-oxoimidazolidin-1-yl)propanoate (CID 116982599) is methyl 3-(3,4-dimethyl-2-oxoimidazolidin-1-yl)propanoate.
What is the SMILES notation for methyl 3-(3,4-dimethyl-2-oxoimidazolidin-1-yl)propanoate?
The canonical SMILES for methyl 3-(3,4-dimethyl-2-oxoimidazolidin-1-yl)propanoate is COC(=O)CCN1CC(C)N(C)C1=O.
What is the InChIKey of methyl 3-(3,4-dimethyl-2-oxoimidazolidin-1-yl)propanoate?
The InChIKey is JPRLFKVEPQRGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-7-6-11(9(13)10(7)2)5-4-8(12)14-3/h7H,4-6H2,1-3H3.
What are the key properties of methyl 3-(3,4-dimethyl-2-oxoimidazolidin-1-yl)propanoate?
methyl 3-(3,4-dimethyl-2-oxoimidazolidin-1-yl)propanoate has a molecular weight of 200.24 g/mol, XLogP of 0.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,4-dimethyl-2-oxoimidazolidin-1-yl)propanoate is sourced from PubChem (CID 116982599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).