tert-butyl 3-[1-hydroxy-2-(1-methyltriazol-4-yl)ethyl]morpholine-4-carboxylate

C14H24N4O4 — CID 107048261

IUPACtert-butyl 3-[1-hydroxy-2-(1-methyltriazol-4-yl)ethyl]morpholine-4-carboxylate
SMILESCn1cc(CC(O)C2COCCN2C(=O)OC(C)(C)C)nn1
InChIInChI=1S/C14H24N4O4/c1-14(2,3)22-13(20)18-5-6-21-9-11(18)12(19)7-10-8-17(4)16-15-10/h8,11-12,19H,5-7,9H2,1-4H3
InChIKeyITMICIGNYKHPEQ-UHFFFAOYSA-N
MW312.37 g/mol
LogP0.35
Rot. Bonds3

About tert-butyl 3-[1-hydroxy-2-(1-methyltriazol-4-yl)ethyl]morpholine-4-carboxylate

tert-butyl 3-[1-hydroxy-2-(1-methyltriazol-4-yl)ethyl]morpholine-4-carboxylate (PubChem CID 107048261) has the molecular formula C14H24N4O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is tert-butyl 3-[1-hydroxy-2-(1-methyltriazol-4-yl)ethyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[1-hydroxy-2-(1-methyltriazol-4-yl)ethyl]morpholine-4-carboxylate
PubChem CID107048261
Molecular FormulaC14H24N4O4
Molecular Weight312.37 g/mol
Exact Mass312.18
IUPAC Nametert-butyl 3-[1-hydroxy-2-(1-methyltriazol-4-yl)ethyl]morpholine-4-carboxylate
SMILESCn1cc(CC(O)C2COCCN2C(=O)OC(C)(C)C)nn1
InChIInChI=1S/C14H24N4O4/c1-14(2,3)22-13(20)18-5-6-21-9-11(18)12(19)7-10-8-17(4)16-15-10/h8,11-12,19H,5-7,9H2,1-4H3
InChIKeyITMICIGNYKHPEQ-UHFFFAOYSA-N
XLogP0.35
TPSA89.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 3-[1-hydroxy-2-(1-methyltriazol-4-yl)ethyl]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-(1-hydroxyheptyl)morpholine-4-carboxylate
CID 103554147
tert-butyl 3-[(2-ethylcyclohexyl)-hydroxymethyl]morpholine-4-carboxylate
CID 103554180
tert-butyl 3-[1-amino-2-(4-methylphenyl)ethyl]morpholine-4-carboxylate
CID 103554425
tert-butyl 3-[hydroxy(pyrazin-2-yl)methyl]morpholine-4-carboxylate
CID 103554275
tert-butyl 3-(1-ethoxy-1,3-dioxobutan-2-yl)morpholine-4-carboxylate
CID 178201481
tert-butyl 3-[1-amino-2-(4-chlorophenyl)ethyl]morpholine-4-carboxylate
CID 103554529
(2S)-2-(4-chlorophenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]acetic acid
CID 66845289
tert-butyl 3-(2-ethylpyrazole-3-carbonyl)morpholine-4-carboxylate
CID 103554047
tert-butyl 3-[(3,4-difluorophenyl)-hydroxymethyl]morpholine-4-carboxylate
CID 103554175
tert-butyl 3-[1-amino-2-(2-chlorophenyl)ethyl]morpholine-4-carboxylate
CID 103554383
tert-butyl 3-[amino-(4-bromo-1-methylpyrazol-5-yl)methyl]morpholine-4-carboxylate
CID 103554501
tert-butyl 3-[(2-ethoxy-3-fluoro-4-pyridinyl)-hydroxymethyl]morpholine-4-carboxylate
CID 114270358

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-hydroxy-2-(1-methyltriazol-4-yl)ethyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-[1-hydroxy-2-(1-methyltriazol-4-yl)ethyl]morpholine-4-carboxylate (CID 107048261) is tert-butyl 3-[1-hydroxy-2-(1-methyltriazol-4-yl)ethyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-[1-hydroxy-2-(1-methyltriazol-4-yl)ethyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-[1-hydroxy-2-(1-methyltriazol-4-yl)ethyl]morpholine-4-carboxylate is Cn1cc(CC(O)C2COCCN2C(=O)OC(C)(C)C)nn1.
What is the InChIKey of tert-butyl 3-[1-hydroxy-2-(1-methyltriazol-4-yl)ethyl]morpholine-4-carboxylate?
The InChIKey is ITMICIGNYKHPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O4/c1-14(2,3)22-13(20)18-5-6-21-9-11(18)12(19)7-10-8-17(4)16-15-10/h8,11-12,19H,5-7,9H2,1-4H3.
What are the key properties of tert-butyl 3-[1-hydroxy-2-(1-methyltriazol-4-yl)ethyl]morpholine-4-carboxylate?
tert-butyl 3-[1-hydroxy-2-(1-methyltriazol-4-yl)ethyl]morpholine-4-carboxylate has a molecular weight of 312.37 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-hydroxy-2-(1-methyltriazol-4-yl)ethyl]morpholine-4-carboxylate is sourced from PubChem (CID 107048261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).