tert-butyl (4R)-4-[(E)-6-amino-4-methylhept-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C18H34N2O3 — CID 143031672

IUPACtert-butyl (4R)-4-[(E)-6-amino-4-methylhept-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(N)CC(C)/C=C/C[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C18H34N2O3/c1-13(11-14(2)19)9-8-10-15-12-22-18(6,7)20(15)16(21)23-17(3,4)5/h8-9,13-15H,10-12,19H2,1-7H3/b9-8+/t13?,14?,15-/m1/s1
InChIKeyAGGKGYYRJARTTO-KFZSDBMLSA-N
MW326.48 g/mol
LogP3.68
Rot. Bonds5

About tert-butyl (4R)-4-[(E)-6-amino-4-methylhept-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4R)-4-[(E)-6-amino-4-methylhept-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 143031672) has the molecular formula C18H34N2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is tert-butyl (4R)-4-[(E)-6-amino-4-methylhept-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-[(E)-6-amino-4-methylhept-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID143031672
Molecular FormulaC18H34N2O3
Molecular Weight326.48 g/mol
Exact Mass326.26
IUPAC Nametert-butyl (4R)-4-[(E)-6-amino-4-methylhept-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(N)CC(C)/C=C/C[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C18H34N2O3/c1-13(11-14(2)19)9-8-10-15-12-22-18(6,7)20(15)16(21)23-17(3,4)5/h8-9,13-15H,10-12,19H2,1-7H3/b9-8+/t13?,14?,15-/m1/s1
InChIKeyAGGKGYYRJARTTO-KFZSDBMLSA-N
XLogP3.68
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl (4R)-4-[(E)-6-amino-4-methylhept-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate with MolForge

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Related Compounds

tert-butyl (4R)-4-[(E)-4-acetyloxybut-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10686665
tert-butyl 4-[(2S)-2-hydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 118469598
tert-butyl (4R)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylate
CID 101170002
tert-butyl (4R)-4-[(E)-4-methoxy-4-oxobut-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10851696
tert-butyl (4S)-4-[(2S)-2-hydroxybutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 59173161
tert-butyl (4S)-4-[(2S)-3,3-difluoro-2-hydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 118422566
tert-butyl (4S)-2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-oxazolidine-3-carboxylate
CID 58893797
tert-butyl (4S)-4-but-3-enyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10923119
tert-butyl (4S)-4-(2-hydroxypent-4-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 59344945
tert-butyl 4-(2-hydroxypent-4-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 66894405
3-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]propanoic acid
CID 10635974
tert-butyl 4-[(1S)-4-amino-1-hydroxybut-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 91363979

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-[(E)-6-amino-4-methylhept-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-[(E)-6-amino-4-methylhept-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 143031672) is tert-butyl (4R)-4-[(E)-6-amino-4-methylhept-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-[(E)-6-amino-4-methylhept-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-[(E)-6-amino-4-methylhept-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(N)CC(C)/C=C/C[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4R)-4-[(E)-6-amino-4-methylhept-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is AGGKGYYRJARTTO-KFZSDBMLSA-N. The full InChI is InChI=1S/C18H34N2O3/c1-13(11-14(2)19)9-8-10-15-12-22-18(6,7)20(15)16(21)23-17(3,4)5/h8-9,13-15H,10-12,19H2,1-7H3/b9-8+/t13?,14?,15-/m1/s1.
What are the key properties of tert-butyl (4R)-4-[(E)-6-amino-4-methylhept-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-4-[(E)-6-amino-4-methylhept-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 326.48 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-[(E)-6-amino-4-methylhept-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 143031672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).