ditert-butyl (4S,5S)-4,5-dimethylimidazolidine-1,3-dicarboxylate

C15H28N2O4 — CID 15357287

IUPACditert-butyl (4S,5S)-4,5-dimethylimidazolidine-1,3-dicarboxylate
SMILESC[C@H]1[C@H](C)N(C(=O)OC(C)(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O4/c1-10-11(2)17(13(19)21-15(6,7)8)9-16(10)12(18)20-14(3,4)5/h10-11H,9H2,1-8H3/t10-,11-/m0/s1
InChIKeyNOKLOCTUHNQBMI-QWRGUYRKSA-N
MW300.40 g/mol
LogP3.21
Rot. Bonds

About ditert-butyl (4S,5S)-4,5-dimethylimidazolidine-1,3-dicarboxylate

ditert-butyl (4S,5S)-4,5-dimethylimidazolidine-1,3-dicarboxylate (PubChem CID 15357287) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is ditert-butyl (4S,5S)-4,5-dimethylimidazolidine-1,3-dicarboxylate.

Molecular Properties

Compound Nameditert-butyl (4S,5S)-4,5-dimethylimidazolidine-1,3-dicarboxylate
PubChem CID15357287
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Nameditert-butyl (4S,5S)-4,5-dimethylimidazolidine-1,3-dicarboxylate
SMILESC[C@H]1[C@H](C)N(C(=O)OC(C)(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O4/c1-10-11(2)17(13(19)21-15(6,7)8)9-16(10)12(18)20-14(3,4)5/h10-11H,9H2,1-8H3/t10-,11-/m0/s1
InChIKeyNOKLOCTUHNQBMI-QWRGUYRKSA-N
XLogP3.21
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ditert-butyl (4S,5S)-4,5-dimethylimidazolidine-1,3-dicarboxylate?
The IUPAC name of ditert-butyl (4S,5S)-4,5-dimethylimidazolidine-1,3-dicarboxylate (CID 15357287) is ditert-butyl (4S,5S)-4,5-dimethylimidazolidine-1,3-dicarboxylate.
What is the SMILES notation for ditert-butyl (4S,5S)-4,5-dimethylimidazolidine-1,3-dicarboxylate?
The canonical SMILES for ditert-butyl (4S,5S)-4,5-dimethylimidazolidine-1,3-dicarboxylate is C[C@H]1[C@H](C)N(C(=O)OC(C)(C)C)CN1C(=O)OC(C)(C)C.
What is the InChIKey of ditert-butyl (4S,5S)-4,5-dimethylimidazolidine-1,3-dicarboxylate?
The InChIKey is NOKLOCTUHNQBMI-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-10-11(2)17(13(19)21-15(6,7)8)9-16(10)12(18)20-14(3,4)5/h10-11H,9H2,1-8H3/t10-,11-/m0/s1.
What are the key properties of ditert-butyl (4S,5S)-4,5-dimethylimidazolidine-1,3-dicarboxylate?
ditert-butyl (4S,5S)-4,5-dimethylimidazolidine-1,3-dicarboxylate has a molecular weight of 300.40 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl (4S,5S)-4,5-dimethylimidazolidine-1,3-dicarboxylate is sourced from PubChem (CID 15357287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).