tert-butyl (4S)-1-methyl-2-oxoimidazolidine-4-carboxylate

C9H16N2O3 — CID 13053976

IUPACtert-butyl (4S)-1-methyl-2-oxoimidazolidine-4-carboxylate
SMILESCN1C[C@@H](C(=O)OC(C)(C)C)NC1=O
InChIInChI=1S/C9H16N2O3/c1-9(2,3)14-7(12)6-5-11(4)8(13)10-6/h6H,5H2,1-4H3,(H,10,13)/t6-/m0/s1
InChIKeyJHSLVEQWBDYFQN-LURJTMIESA-N
MW200.24 g/mol
LogP0.35
Rot. Bonds1

About tert-butyl (4S)-1-methyl-2-oxoimidazolidine-4-carboxylate

tert-butyl (4S)-1-methyl-2-oxoimidazolidine-4-carboxylate (PubChem CID 13053976) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is tert-butyl (4S)-1-methyl-2-oxoimidazolidine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-1-methyl-2-oxoimidazolidine-4-carboxylate
PubChem CID13053976
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Nametert-butyl (4S)-1-methyl-2-oxoimidazolidine-4-carboxylate
SMILESCN1C[C@@H](C(=O)OC(C)(C)C)NC1=O
InChIInChI=1S/C9H16N2O3/c1-9(2,3)14-7(12)6-5-11(4)8(13)10-6/h6H,5H2,1-4H3,(H,10,13)/t6-/m0/s1
InChIKeyJHSLVEQWBDYFQN-LURJTMIESA-N
XLogP0.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-1-methyl-2-oxoimidazolidine-4-carboxylate?
The IUPAC name of tert-butyl (4S)-1-methyl-2-oxoimidazolidine-4-carboxylate (CID 13053976) is tert-butyl (4S)-1-methyl-2-oxoimidazolidine-4-carboxylate.
What is the SMILES notation for tert-butyl (4S)-1-methyl-2-oxoimidazolidine-4-carboxylate?
The canonical SMILES for tert-butyl (4S)-1-methyl-2-oxoimidazolidine-4-carboxylate is CN1C[C@@H](C(=O)OC(C)(C)C)NC1=O.
What is the InChIKey of tert-butyl (4S)-1-methyl-2-oxoimidazolidine-4-carboxylate?
The InChIKey is JHSLVEQWBDYFQN-LURJTMIESA-N. The full InChI is InChI=1S/C9H16N2O3/c1-9(2,3)14-7(12)6-5-11(4)8(13)10-6/h6H,5H2,1-4H3,(H,10,13)/t6-/m0/s1.
What are the key properties of tert-butyl (4S)-1-methyl-2-oxoimidazolidine-4-carboxylate?
tert-butyl (4S)-1-methyl-2-oxoimidazolidine-4-carboxylate has a molecular weight of 200.24 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-1-methyl-2-oxoimidazolidine-4-carboxylate is sourced from PubChem (CID 13053976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).