tert-butyl (4S)-2-oxoimidazolidine-4-carboxylate

C8H14N2O3 — CID 10511752

IUPACtert-butyl (4S)-2-oxoimidazolidine-4-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1CNC(=O)N1
InChIInChI=1S/C8H14N2O3/c1-8(2,3)13-6(11)5-4-9-7(12)10-5/h5H,4H2,1-3H3,(H2,9,10,12)/t5-/m0/s1
InChIKeyQMQFQBITGIQPDH-YFKPBYRVSA-N
MW186.21 g/mol
LogP0.01
Rot. Bonds1

About tert-butyl (4S)-2-oxoimidazolidine-4-carboxylate

tert-butyl (4S)-2-oxoimidazolidine-4-carboxylate (PubChem CID 10511752) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is tert-butyl (4S)-2-oxoimidazolidine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-2-oxoimidazolidine-4-carboxylate
PubChem CID10511752
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Nametert-butyl (4S)-2-oxoimidazolidine-4-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1CNC(=O)N1
InChIInChI=1S/C8H14N2O3/c1-8(2,3)13-6(11)5-4-9-7(12)10-5/h5H,4H2,1-3H3,(H2,9,10,12)/t5-/m0/s1
InChIKeyQMQFQBITGIQPDH-YFKPBYRVSA-N
XLogP0.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 146049865
tert-butyl 2-oxo-3-azabicyclo[4.1.0]heptane-4-carboxylate
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tert-butyl (2R)-pyrrolidine-2-carboxylate
CID 6931635
(2S)-5-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 71748131
tert-butyl 5-fluoropiperidine-2-carboxylate
CID 57018078
ditert-butyl (2R,4S)-pyrrolidine-2,4-dicarboxylate
CID 15283651
tert-butyl cyclopropanecarboxylate
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CID 89216650

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-2-oxoimidazolidine-4-carboxylate?
The IUPAC name of tert-butyl (4S)-2-oxoimidazolidine-4-carboxylate (CID 10511752) is tert-butyl (4S)-2-oxoimidazolidine-4-carboxylate.
What is the SMILES notation for tert-butyl (4S)-2-oxoimidazolidine-4-carboxylate?
The canonical SMILES for tert-butyl (4S)-2-oxoimidazolidine-4-carboxylate is CC(C)(C)OC(=O)[C@@H]1CNC(=O)N1.
What is the InChIKey of tert-butyl (4S)-2-oxoimidazolidine-4-carboxylate?
The InChIKey is QMQFQBITGIQPDH-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-8(2,3)13-6(11)5-4-9-7(12)10-5/h5H,4H2,1-3H3,(H2,9,10,12)/t5-/m0/s1.
What are the key properties of tert-butyl (4S)-2-oxoimidazolidine-4-carboxylate?
tert-butyl (4S)-2-oxoimidazolidine-4-carboxylate has a molecular weight of 186.21 g/mol, XLogP of 0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-2-oxoimidazolidine-4-carboxylate is sourced from PubChem (CID 10511752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).