tert-butyl 3-(1-aminoprop-2-enyl)morpholine-4-carboxylate

C12H22N2O3 — CID 103554397

IUPACtert-butyl 3-(1-aminoprop-2-enyl)morpholine-4-carboxylate
SMILESC=CC(N)C1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H22N2O3/c1-5-9(13)10-8-16-7-6-14(10)11(15)17-12(2,3)4/h5,9-10H,1,6-8,13H2,2-4H3
InChIKeyIGXGHOZUTXZDRS-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.14
Rot. Bonds2

About tert-butyl 3-(1-aminoprop-2-enyl)morpholine-4-carboxylate

tert-butyl 3-(1-aminoprop-2-enyl)morpholine-4-carboxylate (PubChem CID 103554397) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is tert-butyl 3-(1-aminoprop-2-enyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1-aminoprop-2-enyl)morpholine-4-carboxylate
PubChem CID103554397
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nametert-butyl 3-(1-aminoprop-2-enyl)morpholine-4-carboxylate
SMILESC=CC(N)C1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H22N2O3/c1-5-9(13)10-8-16-7-6-14(10)11(15)17-12(2,3)4/h5,9-10H,1,6-8,13H2,2-4H3
InChIKeyIGXGHOZUTXZDRS-UHFFFAOYSA-N
XLogP1.14
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl 3-(1-aminoprop-2-enyl)morpholine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (4aR)-3,4,4a,5-tetrahydro-2H-pyrrolo[3,4-b][1,4]oxazine-6-carboxylate
CID 71086617
tert-butyl (3R,5S)-3-[[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]methyl]-5-prop-2-enylmorpholine-4-carboxylate
CID 89643714
tert-butyl (3R,5S)-3-[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]methyl]-5-prop-2-enylmorpholine-4-carboxylate
CID 89643745
(R)-1-Boc-3-vinylpiperazine
CID 117846053
tert-butyl N-[4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate
CID 118034881
(S)-tert-butyl 3-vinylpiperazine-1-carboxylate
CID 121377927
tert-butyl N-[(3R,4R)-4-[bis(prop-2-enyl)amino]oxolan-3-yl]carbamate
CID 122438641
Tert-butyl 5-ethenyl-2-methylpiperazine-1-carboxylate
CID 123634051
Tert-butyl 2-ethenylpiperazine-1-carboxylate
CID 123900808
tert-butyl (2S)-2-ethenylpiperazine-1-carboxylate
CID 129307290
Tert-butyl [trans-4-(diprop-2-en-1-ylamino)tetrahydrofuran-3-yl]carbamate
CID 131732612
tert-butyl N-[(2R)-1-morpholin-4-yl-1-oxobut-3-en-2-yl]carbamate
CID 134243809

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-aminoprop-2-enyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-(1-aminoprop-2-enyl)morpholine-4-carboxylate (CID 103554397) is tert-butyl 3-(1-aminoprop-2-enyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-(1-aminoprop-2-enyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-(1-aminoprop-2-enyl)morpholine-4-carboxylate is C=CC(N)C1COCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-(1-aminoprop-2-enyl)morpholine-4-carboxylate?
The InChIKey is IGXGHOZUTXZDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-5-9(13)10-8-16-7-6-14(10)11(15)17-12(2,3)4/h5,9-10H,1,6-8,13H2,2-4H3.
What are the key properties of tert-butyl 3-(1-aminoprop-2-enyl)morpholine-4-carboxylate?
tert-butyl 3-(1-aminoprop-2-enyl)morpholine-4-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-aminoprop-2-enyl)morpholine-4-carboxylate is sourced from PubChem (CID 103554397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).