tert-butyl 3-(1-aminobut-3-enyl)morpholine-4-carboxylate

C13H24N2O3 — CID 103554336

IUPACtert-butyl 3-(1-aminobut-3-enyl)morpholine-4-carboxylate
SMILESC=CCC(N)C1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O3/c1-5-6-10(14)11-9-17-8-7-15(11)12(16)18-13(2,3)4/h5,10-11H,1,6-9,14H2,2-4H3
InChIKeyDDDBNMRRSFQVSB-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.53
Rot. Bonds3

About tert-butyl 3-(1-aminobut-3-enyl)morpholine-4-carboxylate

tert-butyl 3-(1-aminobut-3-enyl)morpholine-4-carboxylate (PubChem CID 103554336) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is tert-butyl 3-(1-aminobut-3-enyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1-aminobut-3-enyl)morpholine-4-carboxylate
PubChem CID103554336
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nametert-butyl 3-(1-aminobut-3-enyl)morpholine-4-carboxylate
SMILESC=CCC(N)C1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O3/c1-5-6-10(14)11-9-17-8-7-15(11)12(16)18-13(2,3)4/h5,10-11H,1,6-9,14H2,2-4H3
InChIKeyDDDBNMRRSFQVSB-UHFFFAOYSA-N
XLogP1.53
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (3R,5S)-3-[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]methyl]-5-prop-2-enylmorpholine-4-carboxylate
CID 89643745
tert-butyl N-[2-[3-(4-aminopiperidin-1-yl)propoxy]ethyl]-N-(3-ethylpent-4-enyl)carbamate
CID 169632745
tert-butyl N-[2-[3-(4-aminopiperidin-1-yl)propoxy]ethyl]-N-pent-4-enylcarbamate
CID 169971071
[(2S,3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-prop-2-enylazetidin-3-yl] piperazine-1-carboxylate
CID 176037095
tert-butyl (4R,5S)-4-(aminomethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate
CID 10612126
tert-butyl (4S,5R)-4-(aminomethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate
CID 10802002
tert-butyl (4R)-4-[(1S)-1-aminoprop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 101491098
tert-butyl (4R)-4-[(1R)-1-aminoprop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 101491100
tert-butyl (4R)-2,2-dimethyl-4-[(1R)-1-(prop-2-enylamino)but-3-enyl]-1,3-oxazolidine-3-carboxylate
CID 102325621
tert-butyl (4R)-2,2-dimethyl-4-[(1S)-1-(prop-2-enylamino)but-3-enyl]-1,3-oxazolidine-3-carboxylate
CID 102325622
tert-butyl 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxylate
CID 102613519
Tert-butyl 3-(1-aminopent-4-enyl)morpholine-4-carboxylate
CID 103554366

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-aminobut-3-enyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-(1-aminobut-3-enyl)morpholine-4-carboxylate (CID 103554336) is tert-butyl 3-(1-aminobut-3-enyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-(1-aminobut-3-enyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-(1-aminobut-3-enyl)morpholine-4-carboxylate is C=CCC(N)C1COCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-(1-aminobut-3-enyl)morpholine-4-carboxylate?
The InChIKey is DDDBNMRRSFQVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-5-6-10(14)11-9-17-8-7-15(11)12(16)18-13(2,3)4/h5,10-11H,1,6-9,14H2,2-4H3.
What are the key properties of tert-butyl 3-(1-aminobut-3-enyl)morpholine-4-carboxylate?
tert-butyl 3-(1-aminobut-3-enyl)morpholine-4-carboxylate has a molecular weight of 256.35 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-aminobut-3-enyl)morpholine-4-carboxylate is sourced from PubChem (CID 103554336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).