3-methyl-3-(3-methyl-2-oxo-4-propan-2-ylimidazolidin-1-yl)butanoic acid

C12H22N2O3 — CID 116982152

IUPAC3-methyl-3-(3-methyl-2-oxo-4-propan-2-ylimidazolidin-1-yl)butanoic acid
SMILESCC(C)C1CN(C(C)(C)CC(=O)O)C(=O)N1C
InChIInChI=1S/C12H22N2O3/c1-8(2)9-7-14(11(17)13(9)5)12(3,4)6-10(15)16/h8-9H,6-7H2,1-5H3,(H,15,16)
InChIKeyJZRBWGAUQVXNNK-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.63
Rot. Bonds4

About 3-methyl-3-(3-methyl-2-oxo-4-propan-2-ylimidazolidin-1-yl)butanoic acid

3-methyl-3-(3-methyl-2-oxo-4-propan-2-ylimidazolidin-1-yl)butanoic acid (PubChem CID 116982152) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-methyl-3-(3-methyl-2-oxo-4-propan-2-ylimidazolidin-1-yl)butanoic acid.

Molecular Properties

Compound Name3-methyl-3-(3-methyl-2-oxo-4-propan-2-ylimidazolidin-1-yl)butanoic acid
PubChem CID116982152
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-methyl-3-(3-methyl-2-oxo-4-propan-2-ylimidazolidin-1-yl)butanoic acid
SMILESCC(C)C1CN(C(C)(C)CC(=O)O)C(=O)N1C
InChIInChI=1S/C12H22N2O3/c1-8(2)9-7-14(11(17)13(9)5)12(3,4)6-10(15)16/h8-9H,6-7H2,1-5H3,(H,15,16)
InChIKeyJZRBWGAUQVXNNK-UHFFFAOYSA-N
XLogP1.63
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(3-methyl-2-oxo-4-propan-2-ylimidazolidin-1-yl)butanoic acid?
The IUPAC name of 3-methyl-3-(3-methyl-2-oxo-4-propan-2-ylimidazolidin-1-yl)butanoic acid (CID 116982152) is 3-methyl-3-(3-methyl-2-oxo-4-propan-2-ylimidazolidin-1-yl)butanoic acid.
What is the SMILES notation for 3-methyl-3-(3-methyl-2-oxo-4-propan-2-ylimidazolidin-1-yl)butanoic acid?
The canonical SMILES for 3-methyl-3-(3-methyl-2-oxo-4-propan-2-ylimidazolidin-1-yl)butanoic acid is CC(C)C1CN(C(C)(C)CC(=O)O)C(=O)N1C.
What is the InChIKey of 3-methyl-3-(3-methyl-2-oxo-4-propan-2-ylimidazolidin-1-yl)butanoic acid?
The InChIKey is JZRBWGAUQVXNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8(2)9-7-14(11(17)13(9)5)12(3,4)6-10(15)16/h8-9H,6-7H2,1-5H3,(H,15,16).
What are the key properties of 3-methyl-3-(3-methyl-2-oxo-4-propan-2-ylimidazolidin-1-yl)butanoic acid?
3-methyl-3-(3-methyl-2-oxo-4-propan-2-ylimidazolidin-1-yl)butanoic acid has a molecular weight of 242.32 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(3-methyl-2-oxo-4-propan-2-ylimidazolidin-1-yl)butanoic acid is sourced from PubChem (CID 116982152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).