3-[3-methyl-4-(2-methylpropyl)-2-oxoimidazolidin-1-yl]propanoic acid

C11H20N2O3 — CID 116982030

IUPAC3-[3-methyl-4-(2-methylpropyl)-2-oxoimidazolidin-1-yl]propanoic acid
SMILESCC(C)CC1CN(CCC(=O)O)C(=O)N1C
InChIInChI=1S/C11H20N2O3/c1-8(2)6-9-7-13(5-4-10(14)15)11(16)12(9)3/h8-9H,4-7H2,1-3H3,(H,14,15)
InChIKeyXSKMUICUGNLQOY-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.24
Rot. Bonds5

About 3-[3-methyl-4-(2-methylpropyl)-2-oxoimidazolidin-1-yl]propanoic acid

3-[3-methyl-4-(2-methylpropyl)-2-oxoimidazolidin-1-yl]propanoic acid (PubChem CID 116982030) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-[3-methyl-4-(2-methylpropyl)-2-oxoimidazolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-methyl-4-(2-methylpropyl)-2-oxoimidazolidin-1-yl]propanoic acid
PubChem CID116982030
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-[3-methyl-4-(2-methylpropyl)-2-oxoimidazolidin-1-yl]propanoic acid
SMILESCC(C)CC1CN(CCC(=O)O)C(=O)N1C
InChIInChI=1S/C11H20N2O3/c1-8(2)6-9-7-13(5-4-10(14)15)11(16)12(9)3/h8-9H,4-7H2,1-3H3,(H,14,15)
InChIKeyXSKMUICUGNLQOY-UHFFFAOYSA-N
XLogP1.24
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-ethyl-3-methyl-2-oxoimidazolidin-1-yl)propanoic acid
CID 116982028
3-methyl-1-[(1-methylpiperazin-2-yl)methyl]-4-(2-methylpropyl)imidazolidin-2-one
CID 116982814
1-(1-amino-2-methylpropan-2-yl)-3-methyl-4-(2-methylpropyl)imidazolidin-2-one
CID 116981363
methyl 3-(4-ethyl-3-methyl-2-oxoimidazolidin-1-yl)propanoate
CID 116982594
3-[2-(2-methylpropyl)azepan-1-yl]propanoic acid
CID 119137915
3-[4-(4-bromothiophen-2-yl)-3-methyl-2-oxoimidazolidin-1-yl]propanoic acid
CID 116982042
3-[3-methyl-4-(3-methylphenyl)-2-oxoimidazolidin-1-yl]propanoic acid
CID 116982044
3-(4-ethyl-2-oxoimidazolidin-1-yl)propanoic acid
CID 116979499
3-[2-(3-methylbutyl)piperidin-1-yl]propanoic acid
CID 119994332
methyl 3-(3,4-dimethyl-2-oxoimidazolidin-1-yl)propanoate
CID 116982599
3-[4-(3-methylbutyl)-3-oxomorpholin-2-yl]propanoic acid
CID 117008445
4-(2-aminoethyl)-1-methyl-6-(2-methylpropyl)piperazin-2-one
CID 112546736

Frequently Asked Questions

What is the IUPAC name of 3-[3-methyl-4-(2-methylpropyl)-2-oxoimidazolidin-1-yl]propanoic acid?
The IUPAC name of 3-[3-methyl-4-(2-methylpropyl)-2-oxoimidazolidin-1-yl]propanoic acid (CID 116982030) is 3-[3-methyl-4-(2-methylpropyl)-2-oxoimidazolidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[3-methyl-4-(2-methylpropyl)-2-oxoimidazolidin-1-yl]propanoic acid?
The canonical SMILES for 3-[3-methyl-4-(2-methylpropyl)-2-oxoimidazolidin-1-yl]propanoic acid is CC(C)CC1CN(CCC(=O)O)C(=O)N1C.
What is the InChIKey of 3-[3-methyl-4-(2-methylpropyl)-2-oxoimidazolidin-1-yl]propanoic acid?
The InChIKey is XSKMUICUGNLQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(2)6-9-7-13(5-4-10(14)15)11(16)12(9)3/h8-9H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 3-[3-methyl-4-(2-methylpropyl)-2-oxoimidazolidin-1-yl]propanoic acid?
3-[3-methyl-4-(2-methylpropyl)-2-oxoimidazolidin-1-yl]propanoic acid has a molecular weight of 228.29 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methyl-4-(2-methylpropyl)-2-oxoimidazolidin-1-yl]propanoic acid is sourced from PubChem (CID 116982030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).