tert-butyl (4R)-2,2-dimethyl-4-[[methyl(propyl)amino]methyl]-1,3-oxazolidine-3-carboxylate

C15H30N2O3 — CID 153438309

IUPACtert-butyl (4R)-2,2-dimethyl-4-[[methyl(propyl)amino]methyl]-1,3-oxazolidine-3-carboxylate
SMILESCCCN(C)C[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O3/c1-8-9-16(7)10-12-11-19-15(5,6)17(12)13(18)20-14(2,3)4/h12H,8-11H2,1-7H3/t12-/m1/s1
InChIKeyTZIZEBHKLMGUEU-GFCCVEGCSA-N
MW286.42 g/mol
LogP2.70
Rot. Bonds4

About tert-butyl (4R)-2,2-dimethyl-4-[[methyl(propyl)amino]methyl]-1,3-oxazolidine-3-carboxylate

tert-butyl (4R)-2,2-dimethyl-4-[[methyl(propyl)amino]methyl]-1,3-oxazolidine-3-carboxylate (PubChem CID 153438309) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is tert-butyl (4R)-2,2-dimethyl-4-[[methyl(propyl)amino]methyl]-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-2,2-dimethyl-4-[[methyl(propyl)amino]methyl]-1,3-oxazolidine-3-carboxylate
PubChem CID153438309
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Nametert-butyl (4R)-2,2-dimethyl-4-[[methyl(propyl)amino]methyl]-1,3-oxazolidine-3-carboxylate
SMILESCCCN(C)C[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O3/c1-8-9-16(7)10-12-11-19-15(5,6)17(12)13(18)20-14(2,3)4/h12H,8-11H2,1-7H3/t12-/m1/s1
InChIKeyTZIZEBHKLMGUEU-GFCCVEGCSA-N
XLogP2.70
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (4S)-2,2-dimethyl-4-[[methyl(propyl)amino]methyl]-1,3-oxazolidine-3-carboxylate
CID 153438321
tert-butyl 2,2-dimethyl-4-[(N-methylanilino)methyl]-1,3-oxazolidine-3-carboxylate
CID 67271529
tert-butyl (4S)-4-(ethylsulfanylmethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 23650636
tert-butyl (4S)-2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-oxazolidine-3-carboxylate
CID 58893797
tert-butyl 4-[(2S)-2-hydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 118469598
tert-butyl (4S)-4-[(2S)-2-hydroxybutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 59173161
tert-butyl (4R)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylate
CID 101170002
3-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]propanoic acid
CID 10635974
tert-butyl (4S)-4-but-3-enyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10923119
4-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-3,3-dimethylbutanoic acid
CID 68653916
tert-butyl (4S)-4-[(2S)-3,3-difluoro-2-hydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 118422566
tert-butyl 4-(4-ethoxy-4-oxobutyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 137333252

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-2,2-dimethyl-4-[[methyl(propyl)amino]methyl]-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-2,2-dimethyl-4-[[methyl(propyl)amino]methyl]-1,3-oxazolidine-3-carboxylate (CID 153438309) is tert-butyl (4R)-2,2-dimethyl-4-[[methyl(propyl)amino]methyl]-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-2,2-dimethyl-4-[[methyl(propyl)amino]methyl]-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-2,2-dimethyl-4-[[methyl(propyl)amino]methyl]-1,3-oxazolidine-3-carboxylate is CCCN(C)C[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4R)-2,2-dimethyl-4-[[methyl(propyl)amino]methyl]-1,3-oxazolidine-3-carboxylate?
The InChIKey is TZIZEBHKLMGUEU-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-8-9-16(7)10-12-11-19-15(5,6)17(12)13(18)20-14(2,3)4/h12H,8-11H2,1-7H3/t12-/m1/s1.
What are the key properties of tert-butyl (4R)-2,2-dimethyl-4-[[methyl(propyl)amino]methyl]-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-2,2-dimethyl-4-[[methyl(propyl)amino]methyl]-1,3-oxazolidine-3-carboxylate has a molecular weight of 286.42 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-2,2-dimethyl-4-[[methyl(propyl)amino]methyl]-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 153438309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).