tert-butyl (4R,5S)-2,2-dimethyl-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate

C19H34N2O5 — CID 11025072

IUPACtert-butyl (4R,5S)-2,2-dimethyl-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate
SMILESC=CC[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)OC(C)(C)C
InChIInChI=1S/C19H34N2O5/c1-10-11-14-13(12-20-15(22)25-17(2,3)4)21(19(8,9)24-14)16(23)26-18(5,6)7/h10,13-14H,1,11-12H2,2-9H3,(H,20,22)/t13-,14+/m1/s1
InChIKeyVSKQFNYCJMSLFB-KGLIPLIRSA-N
MW370.49 g/mol
LogP3.83
Rot. Bonds4

About tert-butyl (4R,5S)-2,2-dimethyl-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4R,5S)-2,2-dimethyl-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate (PubChem CID 11025072) has the molecular formula C19H34N2O5 and a molecular weight of 370.49 g/mol. Its IUPAC name is tert-butyl (4R,5S)-2,2-dimethyl-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R,5S)-2,2-dimethyl-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate
PubChem CID11025072
Molecular FormulaC19H34N2O5
Molecular Weight370.49 g/mol
Exact Mass370.25
IUPAC Nametert-butyl (4R,5S)-2,2-dimethyl-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate
SMILESC=CC[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)OC(C)(C)C
InChIInChI=1S/C19H34N2O5/c1-10-11-14-13(12-20-15(22)25-17(2,3)4)21(19(8,9)24-14)16(23)26-18(5,6)7/h10,13-14H,1,11-12H2,2-9H3,(H,20,22)/t13-,14+/m1/s1
InChIKeyVSKQFNYCJMSLFB-KGLIPLIRSA-N
XLogP3.83
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R,5S)-2,2-dimethyl-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R,5S)-2,2-dimethyl-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate (CID 11025072) is tert-butyl (4R,5S)-2,2-dimethyl-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R,5S)-2,2-dimethyl-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R,5S)-2,2-dimethyl-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate is C=CC[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4R,5S)-2,2-dimethyl-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is VSKQFNYCJMSLFB-KGLIPLIRSA-N. The full InChI is InChI=1S/C19H34N2O5/c1-10-11-14-13(12-20-15(22)25-17(2,3)4)21(19(8,9)24-14)16(23)26-18(5,6)7/h10,13-14H,1,11-12H2,2-9H3,(H,20,22)/t13-,14+/m1/s1.
What are the key properties of tert-butyl (4R,5S)-2,2-dimethyl-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R,5S)-2,2-dimethyl-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 370.49 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R,5S)-2,2-dimethyl-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11025072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).