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

Analyze 1-tert-butyl-3-methyl-2-oxoimidazolidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butyl-3-ethyl-2-oxoimidazolidine-4-carboxylic acid
CID 68720122
3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxoimidazolidine-4-carboxylic acid
CID 146596831
(3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylic acid
CID 735283
(4R)-3-methyl-2-oxoimidazolidine-4-carboxylic acid;(4S)-3-methyl-2-oxoimidazolidine-4-carboxylic acid
CID 159158543
2-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)-2-methylpropanoic acid
CID 116982096
tert-butyl (4R)-3-methyl-2-oxoimidazolidine-4-carboxylate;(4R)-3-methyl-2-oxoimidazolidine-4-carboxylic acid
CID 158781811
2-methyl-2-[3-methyl-2-oxo-4-(1H-pyrrol-2-yl)imidazolidin-1-yl]propanoic acid
CID 116982087
3-methyl-3-(3-methyl-2-oxo-4-propan-2-ylimidazolidin-1-yl)butanoic acid
CID 116982152
(2R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazine-2-carboxylic acid
CID 131229386
3-methyl-2-oxo-1-[6-(trifluoromethyl)pyrimidin-4-yl]imidazolidine-4-carboxylic acid;hydrochloride
CID 67103401
2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylic acid
CID 66733574
tetrakis((2R)-1-methyl-5-oxopyrrolidine-2-carboxylic acid);bis(rhodium)
CID 11297246

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).