2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylic acid

C9H16N2O3 — CID 66733574

IUPAC2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylic acid
SMILESCN1C(=O)CN(C(=O)O)C1C(C)(C)C
InChIInChI=1S/C9H16N2O3/c1-9(2,3)7-10(4)6(12)5-11(7)8(13)14/h7H,5H2,1-4H3,(H,13,14)
InChIKeyHSMMZYVPSNGHPC-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.81
Rot. Bonds

About 2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylic acid

2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylic acid (PubChem CID 66733574) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylic acid
PubChem CID66733574
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylic acid
SMILESCN1C(=O)CN(C(=O)O)C1C(C)(C)C
InChIInChI=1S/C9H16N2O3/c1-9(2,3)7-10(4)6(12)5-11(7)8(13)14/h7H,5H2,1-4H3,(H,13,14)
InChIKeyHSMMZYVPSNGHPC-UHFFFAOYSA-N
XLogP0.81
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylic acid?
The IUPAC name of 2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylic acid (CID 66733574) is 2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylic acid?
The canonical SMILES for 2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylic acid is CN1C(=O)CN(C(=O)O)C1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylic acid?
The InChIKey is HSMMZYVPSNGHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-9(2,3)7-10(4)6(12)5-11(7)8(13)14/h7H,5H2,1-4H3,(H,13,14).
What are the key properties of 2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylic acid?
2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylic acid has a molecular weight of 200.24 g/mol, XLogP of 0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylic acid is sourced from PubChem (CID 66733574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).