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

C9H16N2O3 — CID 68718129

IUPAC1-tert-butyl-3-methyl-2-oxoimidazolidine-4-carboxylic acid
SMILESCN1C(=O)N(C(C)(C)C)CC1C(=O)O
InChIInChI=1S/C9H16N2O3/c1-9(2,3)11-5-6(7(12)13)10(4)8(11)14/h6H,5H2,1-4H3,(H,12,13)
InChIKeyDRLDGCQAJRLWFB-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.61
Rot. Bonds1

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

1-tert-butyl-3-methyl-2-oxoimidazolidine-4-carboxylic acid (PubChem CID 68718129) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-tert-butyl-3-methyl-2-oxoimidazolidine-4-carboxylic acid.

Molecular Properties

Compound Name1-tert-butyl-3-methyl-2-oxoimidazolidine-4-carboxylic acid
PubChem CID68718129
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name1-tert-butyl-3-methyl-2-oxoimidazolidine-4-carboxylic acid
SMILESCN1C(=O)N(C(C)(C)C)CC1C(=O)O
InChIInChI=1S/C9H16N2O3/c1-9(2,3)11-5-6(7(12)13)10(4)8(11)14/h6H,5H2,1-4H3,(H,12,13)
InChIKeyDRLDGCQAJRLWFB-UHFFFAOYSA-N
XLogP0.61
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-methyl-2-oxoimidazolidine-4-carboxylic acid?
The IUPAC name of 1-tert-butyl-3-methyl-2-oxoimidazolidine-4-carboxylic acid (CID 68718129) is 1-tert-butyl-3-methyl-2-oxoimidazolidine-4-carboxylic acid.
What is the SMILES notation for 1-tert-butyl-3-methyl-2-oxoimidazolidine-4-carboxylic acid?
The canonical SMILES for 1-tert-butyl-3-methyl-2-oxoimidazolidine-4-carboxylic acid is CN1C(=O)N(C(C)(C)C)CC1C(=O)O.
What is the InChIKey of 1-tert-butyl-3-methyl-2-oxoimidazolidine-4-carboxylic acid?
The InChIKey is DRLDGCQAJRLWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-9(2,3)11-5-6(7(12)13)10(4)8(11)14/h6H,5H2,1-4H3,(H,12,13).
What are the key properties of 1-tert-butyl-3-methyl-2-oxoimidazolidine-4-carboxylic acid?
1-tert-butyl-3-methyl-2-oxoimidazolidine-4-carboxylic acid has a molecular weight of 200.24 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-methyl-2-oxoimidazolidine-4-carboxylic acid is sourced from PubChem (CID 68718129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).