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

C15H28N2O3 — CID 101043369

IUPACtert-butyl 4-[(cyclobutylamino)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C(CNC2CCC2)COC1(C)C
InChIInChI=1S/C15H28N2O3/c1-14(2,3)20-13(18)17-12(10-19-15(17,4)5)9-16-11-7-6-8-11/h11-12,16H,6-10H2,1-5H3
InChIKeyMPDMVOAVEVHFEF-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.50
Rot. Bonds3

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

tert-butyl 4-[(cyclobutylamino)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 101043369) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl 4-[(cyclobutylamino)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(cyclobutylamino)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID101043369
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl 4-[(cyclobutylamino)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C(CNC2CCC2)COC1(C)C
InChIInChI=1S/C15H28N2O3/c1-14(2,3)20-13(18)17-12(10-19-15(17,4)5)9-16-11-7-6-8-11/h11-12,16H,6-10H2,1-5H3
InChIKeyMPDMVOAVEVHFEF-UHFFFAOYSA-N
XLogP2.50
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[(2S)-2-hydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 118469598
tert-butyl (4S)-2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-oxazolidine-3-carboxylate
CID 58893797
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-(ethylsulfanylmethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 23650636
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-but-3-enyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10923119
tert-butyl (4S)-4-[(2S)-2-hydroxybutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 59173161
tert-butyl 4-[(3-methoxy-3-oxopropoxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 146218256
tert-butyl (4R)-4-[(E)-4-methoxy-4-oxobut-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10851696
tert-butyl 4-[(6,6-dimethyloxan-3-yl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 68711976
tert-butyl (4S)-4-[(2S)-3,3-difluoro-2-hydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 118422566

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(cyclobutylamino)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 4-[(cyclobutylamino)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 101043369) is tert-butyl 4-[(cyclobutylamino)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 4-[(cyclobutylamino)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 4-[(cyclobutylamino)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1C(CNC2CCC2)COC1(C)C.
What is the InChIKey of tert-butyl 4-[(cyclobutylamino)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is MPDMVOAVEVHFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-14(2,3)20-13(18)17-12(10-19-15(17,4)5)9-16-11-7-6-8-11/h11-12,16H,6-10H2,1-5H3.
What are the key properties of tert-butyl 4-[(cyclobutylamino)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl 4-[(cyclobutylamino)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(cyclobutylamino)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 101043369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).