tert-butyl (4R)-4-[(1S)-1-aminoprop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C13H24N2O3 — CID 101491098

IUPACtert-butyl (4R)-4-[(1S)-1-aminoprop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESC=C[C@H](N)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O3/c1-7-9(14)10-8-17-13(5,6)15(10)11(16)18-12(2,3)4/h7,9-10H,1,8,14H2,2-6H3/t9-,10-/m0/s1
InChIKeyHPMVSVHGSXKICW-UWVGGRQHSA-N
MW256.35 g/mol
LogP1.87
Rot. Bonds2

About tert-butyl (4R)-4-[(1S)-1-aminoprop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4R)-4-[(1S)-1-aminoprop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 101491098) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is tert-butyl (4R)-4-[(1S)-1-aminoprop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-[(1S)-1-aminoprop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID101491098
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nametert-butyl (4R)-4-[(1S)-1-aminoprop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESC=C[C@H](N)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O3/c1-7-9(14)10-8-17-13(5,6)15(10)11(16)18-12(2,3)4/h7,9-10H,1,8,14H2,2-6H3/t9-,10-/m0/s1
InChIKeyHPMVSVHGSXKICW-UWVGGRQHSA-N
XLogP1.87
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.87
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-[(1S)-1-aminoprop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate with MolForge

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Related Compounds

tert-butyl (4S)-4-[(Z)-5-amino-3-fluoropent-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 59883032
tert-butyl (4S)-4-(5-amino-3-fluoropent-2-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 91432884
tert-butyl (4S)-4-[(E)-5-amino-3-fluoropent-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 145841533
tert-butyl N-[2-(2-oxo-1,3-oxazolidin-3-yl)but-3-enyl]carbamate
CID 54460263
[2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethyl]azanium
CID 59396010
2-amino-1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone
CID 59396011
1,1-dimethylethyl {2-[(4S)-2,2-dimethyl-4-(2-propen-1-yl)-1,3-oxazolidin-3-yl]-2-oxoethyl}carbamate
CID 59396014
[2-(2,2-Dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl)-2-oxoethyl]azanium
CID 72287424
2-Amino-1-(2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl)ethanone
CID 72287425
tert-butyl N-[2-(2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl)-2-oxoethyl]carbamate
CID 72287427
Tert-butyl 2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylate
CID 72819797
(1,1,1,3,3-pentadeuterio-2-methylpropan-2-yl) N-deuterio-N-[1,1-dideuterio-2-oxo-2-[(4S)-4,5,5-trideuterio-4-(1,1,2,3,3-pentadeuterioprop-2-enyl)-2,2-bis(trideuteriomethyl)-1,3-oxazolidin-3-yl]ethyl]carbamate
CID 87499463

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-[(1S)-1-aminoprop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-[(1S)-1-aminoprop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 101491098) is tert-butyl (4R)-4-[(1S)-1-aminoprop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-[(1S)-1-aminoprop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-[(1S)-1-aminoprop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is C=C[C@H](N)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4R)-4-[(1S)-1-aminoprop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is HPMVSVHGSXKICW-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-7-9(14)10-8-17-13(5,6)15(10)11(16)18-12(2,3)4/h7,9-10H,1,8,14H2,2-6H3/t9-,10-/m0/s1.
What are the key properties of tert-butyl (4R)-4-[(1S)-1-aminoprop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-4-[(1S)-1-aminoprop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 256.35 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-[(1S)-1-aminoprop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 101491098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).