3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidine-1,5-dicarboxylic acid

C10H14N2O7 — CID 154464587

IUPAC3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidine-1,5-dicarboxylic acid
SMILESCC(C)(C)OC(=O)N1CC(C(=O)O)N(C(=O)O)C1=O
InChIInChI=1S/C10H14N2O7/c1-10(2,3)19-9(18)11-4-5(6(13)14)12(7(11)15)8(16)17/h5H,4H2,1-3H3,(H,13,14)(H,16,17)
InChIKeyVXEVWQKTFCMAEB-UHFFFAOYSA-N
MW274.23 g/mol
LogP0.79
Rot. Bonds1

About 3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidine-1,5-dicarboxylic acid

3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidine-1,5-dicarboxylic acid (PubChem CID 154464587) has the molecular formula C10H14N2O7 and a molecular weight of 274.23 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidine-1,5-dicarboxylic acid.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidine-1,5-dicarboxylic acid
PubChem CID154464587
Molecular FormulaC10H14N2O7
Molecular Weight274.23 g/mol
Exact Mass274.08
IUPAC Name3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidine-1,5-dicarboxylic acid
SMILESCC(C)(C)OC(=O)N1CC(C(=O)O)N(C(=O)O)C1=O
InChIInChI=1S/C10H14N2O7/c1-10(2,3)19-9(18)11-4-5(6(13)14)12(7(11)15)8(16)17/h5H,4H2,1-3H3,(H,13,14)(H,16,17)
InChIKeyVXEVWQKTFCMAEB-UHFFFAOYSA-N
XLogP0.79
TPSA124.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]aziridine-2-carboxylic acid
CID 53482071
(2S)-1-tert-butoxycarbonylaziridine-2-carboxylic acid;lithium salt
CID 156758166
tert-butyl 4-methyl-2-oxo-3-prop-2-ynylimidazolidine-1-carboxylate
CID 19753272
(2S)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid
CID 67159799
(1S,5R,6S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 139468938
(2R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazine-2-carboxylic acid
CID 131229386
2-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-1-carboxylic acid
CID 56991730
tert-butyl (4S)-2-oxo-4-phenylimidazolidine-1-carboxylate
CID 155394671
(2S)-4-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 86723602
4-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 67085688
(2S,5R)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
CID 154574539
(4S)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 66848111

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidine-1,5-dicarboxylic acid?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidine-1,5-dicarboxylic acid (CID 154464587) is 3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidine-1,5-dicarboxylic acid.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidine-1,5-dicarboxylic acid?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidine-1,5-dicarboxylic acid is CC(C)(C)OC(=O)N1CC(C(=O)O)N(C(=O)O)C1=O.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidine-1,5-dicarboxylic acid?
The InChIKey is VXEVWQKTFCMAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O7/c1-10(2,3)19-9(18)11-4-5(6(13)14)12(7(11)15)8(16)17/h5H,4H2,1-3H3,(H,13,14)(H,16,17).
What are the key properties of 3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidine-1,5-dicarboxylic acid?
3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidine-1,5-dicarboxylic acid has a molecular weight of 274.23 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoimidazolidine-1,5-dicarboxylic acid is sourced from PubChem (CID 154464587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).