tert-butyl 3-[amino(pyridin-3-yl)methyl]morpholine-4-carboxylate

C15H23N3O3 — CID 103554531

IUPACtert-butyl 3-[amino(pyridin-3-yl)methyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1C(N)c1cccnc1
InChIInChI=1S/C15H23N3O3/c1-15(2,3)21-14(19)18-7-8-20-10-12(18)13(16)11-5-4-6-17-9-11/h4-6,9,12-13H,7-8,10,16H2,1-3H3
InChIKeyZHACXYMCZYMMNX-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.72
Rot. Bonds2

About tert-butyl 3-[amino(pyridin-3-yl)methyl]morpholine-4-carboxylate

tert-butyl 3-[amino(pyridin-3-yl)methyl]morpholine-4-carboxylate (PubChem CID 103554531) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is tert-butyl 3-[amino(pyridin-3-yl)methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[amino(pyridin-3-yl)methyl]morpholine-4-carboxylate
PubChem CID103554531
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nametert-butyl 3-[amino(pyridin-3-yl)methyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1C(N)c1cccnc1
InChIInChI=1S/C15H23N3O3/c1-15(2,3)21-14(19)18-7-8-20-10-12(18)13(16)11-5-4-6-17-9-11/h4-6,9,12-13H,7-8,10,16H2,1-3H3
InChIKeyZHACXYMCZYMMNX-UHFFFAOYSA-N
XLogP1.72
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-[amino(pyridin-3-yl)methyl]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 3-[amino-(3-ethylphenyl)methyl]morpholine-4-carboxylate
CID 103554420
tert-butyl 3-[hydroxy(pyrazin-2-yl)methyl]morpholine-4-carboxylate
CID 103554275
tert-butyl 3-[amino-(4-bromo-1-methylpyrazol-5-yl)methyl]morpholine-4-carboxylate
CID 103554501
(2S)-2-(4-chlorophenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]acetic acid
CID 66845289
tert-butyl 3-[1-amino-2-(4-methylphenyl)ethyl]morpholine-4-carboxylate
CID 103554425
tert-butyl 3-[1-amino-2-(2-chlorophenyl)ethyl]morpholine-4-carboxylate
CID 103554383
tert-butyl 3-(pyrazine-2-carbonyl)morpholine-4-carboxylate
CID 103554099
tert-butyl 3-[1-amino-2-(4-chlorophenyl)ethyl]morpholine-4-carboxylate
CID 103554529
tert-butyl (2S)-2-[(S)-amino(phenyl)methyl]pyrrolidine-1-carboxylate
CID 95479256
tert-butyl 3-[(3-pyridin-3-ylphenyl)methyl]morpholine-4-carboxylate
CID 118116680
tert-butyl (3R)-3-[(4-tert-butylphenyl)-[2-[(4,4-difluorocyclohexyl)amino]-2-oxo-1-pyridin-3-ylethyl]carbamoyl]morpholine-4-carboxylate
CID 166040422
tert-butyl 3-[(3,4-difluorophenyl)-hydroxymethyl]morpholine-4-carboxylate
CID 103554175

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[amino(pyridin-3-yl)methyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-[amino(pyridin-3-yl)methyl]morpholine-4-carboxylate (CID 103554531) is tert-butyl 3-[amino(pyridin-3-yl)methyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-[amino(pyridin-3-yl)methyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-[amino(pyridin-3-yl)methyl]morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOCC1C(N)c1cccnc1.
What is the InChIKey of tert-butyl 3-[amino(pyridin-3-yl)methyl]morpholine-4-carboxylate?
The InChIKey is ZHACXYMCZYMMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-15(2,3)21-14(19)18-7-8-20-10-12(18)13(16)11-5-4-6-17-9-11/h4-6,9,12-13H,7-8,10,16H2,1-3H3.
What are the key properties of tert-butyl 3-[amino(pyridin-3-yl)methyl]morpholine-4-carboxylate?
tert-butyl 3-[amino(pyridin-3-yl)methyl]morpholine-4-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[amino(pyridin-3-yl)methyl]morpholine-4-carboxylate is sourced from PubChem (CID 103554531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).