tert-butyl (5S)-5-methyl-3-propan-2-ylimidazolidine-1-carboxylate

C12H24N2O2 — CID 11218444

IUPACtert-butyl (5S)-5-methyl-3-propan-2-ylimidazolidine-1-carboxylate
SMILESCC(C)N1C[C@H](C)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H24N2O2/c1-9(2)13-7-10(3)14(8-13)11(15)16-12(4,5)6/h9-10H,7-8H2,1-6H3/t10-/m0/s1
InChIKeyFUWXHPHFSJDILF-JTQLQIEISA-N
MW228.34 g/mol
LogP2.29
Rot. Bonds1

About tert-butyl (5S)-5-methyl-3-propan-2-ylimidazolidine-1-carboxylate

tert-butyl (5S)-5-methyl-3-propan-2-ylimidazolidine-1-carboxylate (PubChem CID 11218444) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is tert-butyl (5S)-5-methyl-3-propan-2-ylimidazolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (5S)-5-methyl-3-propan-2-ylimidazolidine-1-carboxylate
PubChem CID11218444
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nametert-butyl (5S)-5-methyl-3-propan-2-ylimidazolidine-1-carboxylate
SMILESCC(C)N1C[C@H](C)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H24N2O2/c1-9(2)13-7-10(3)14(8-13)11(15)16-12(4,5)6/h9-10H,7-8H2,1-6H3/t10-/m0/s1
InChIKeyFUWXHPHFSJDILF-JTQLQIEISA-N
XLogP2.29
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (5S)-5-methyl-3-propan-2-ylimidazolidine-1-carboxylate?
The IUPAC name of tert-butyl (5S)-5-methyl-3-propan-2-ylimidazolidine-1-carboxylate (CID 11218444) is tert-butyl (5S)-5-methyl-3-propan-2-ylimidazolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (5S)-5-methyl-3-propan-2-ylimidazolidine-1-carboxylate?
The canonical SMILES for tert-butyl (5S)-5-methyl-3-propan-2-ylimidazolidine-1-carboxylate is CC(C)N1C[C@H](C)N(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (5S)-5-methyl-3-propan-2-ylimidazolidine-1-carboxylate?
The InChIKey is FUWXHPHFSJDILF-JTQLQIEISA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(2)13-7-10(3)14(8-13)11(15)16-12(4,5)6/h9-10H,7-8H2,1-6H3/t10-/m0/s1.
What are the key properties of tert-butyl (5S)-5-methyl-3-propan-2-ylimidazolidine-1-carboxylate?
tert-butyl (5S)-5-methyl-3-propan-2-ylimidazolidine-1-carboxylate has a molecular weight of 228.34 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5S)-5-methyl-3-propan-2-ylimidazolidine-1-carboxylate is sourced from PubChem (CID 11218444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).