tert-butyl (3R)-3-(4-aminophenyl)morpholine-4-carboxylate

C15H22N2O3 — CID 67388382

IUPACtert-butyl (3R)-3-(4-aminophenyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC[C@H]1c1ccc(N)cc1
InChIInChI=1S/C15H22N2O3/c1-15(2,3)20-14(18)17-8-9-19-10-13(17)11-4-6-12(16)7-5-11/h4-7,13H,8-10,16H2,1-3H3/t13-/m0/s1
InChIKeyGFKWUTNMYMLPIK-ZDUSSCGKSA-N
MW278.35 g/mol
LogP2.58
Rot. Bonds1

About tert-butyl (3R)-3-(4-aminophenyl)morpholine-4-carboxylate

tert-butyl (3R)-3-(4-aminophenyl)morpholine-4-carboxylate (PubChem CID 67388382) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is tert-butyl (3R)-3-(4-aminophenyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-(4-aminophenyl)morpholine-4-carboxylate
PubChem CID67388382
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nametert-butyl (3R)-3-(4-aminophenyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC[C@H]1c1ccc(N)cc1
InChIInChI=1S/C15H22N2O3/c1-15(2,3)20-14(18)17-8-9-19-10-13(17)11-4-6-12(16)7-5-11/h4-7,13H,8-10,16H2,1-3H3/t13-/m0/s1
InChIKeyGFKWUTNMYMLPIK-ZDUSSCGKSA-N
XLogP2.58
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(3R)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]benzoic acid
CID 167734448
tert-butyl (3S)-3-(4-amino-2-chlorophenyl)morpholine-4-carboxylate
CID 172748859
tert-butyl 3-(5-aminopyrimidin-2-yl)morpholine-4-carboxylate
CID 172992700
tert-butyl 3-(4-amino-2-pyridinyl)morpholine-4-carboxylate
CID 166160542
tert-butyl 3-(5-amino-2-chlorophenyl)-1,4-oxazepane-4-carboxylate
CID 146193874
tert-butyl (3S)-3-(1,2,4-oxadiazol-5-yl)morpholine-4-carboxylate
CID 124709726
tert-butyl 2-(4-aminophenyl)morpholine-4-carboxylate;tert-butyl 2-(4-aminophenyl)piperidine-1-carboxylate;tert-butyl 2-(4-aminophenyl)pyrrolidine-1-carboxylate
CID 160578774
tert-butyl (3R)-3-[3-(4-amino-6-oxo-1H-1,3,5-triazin-2-yl)-5-chlorophenyl]morpholine-4-carboxylate
CID 171499389
tert-butyl (3R)-3-[3-(6-amino-3,5-dihydro-2H-pyrazin-4-yl)-5-chlorophenyl]morpholine-4-carboxylate
CID 171499225
tert-butyl (2R,3S)-3-amino-2-(4-aminophenyl)pyrrolidine-1-carboxylate
CID 125453489
tert-butyl 3-(4-aminophenyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 175839857
tert-butyl (3R)-3-(5-amino-2-methoxycarbonyl-4-pyridinyl)morpholine-4-carboxylate
CID 177204743

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(4-aminophenyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl (3R)-3-(4-aminophenyl)morpholine-4-carboxylate (CID 67388382) is tert-butyl (3R)-3-(4-aminophenyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-(4-aminophenyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-(4-aminophenyl)morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOC[C@H]1c1ccc(N)cc1.
What is the InChIKey of tert-butyl (3R)-3-(4-aminophenyl)morpholine-4-carboxylate?
The InChIKey is GFKWUTNMYMLPIK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2,3)20-14(18)17-8-9-19-10-13(17)11-4-6-12(16)7-5-11/h4-7,13H,8-10,16H2,1-3H3/t13-/m0/s1.
What are the key properties of tert-butyl (3R)-3-(4-aminophenyl)morpholine-4-carboxylate?
tert-butyl (3R)-3-(4-aminophenyl)morpholine-4-carboxylate has a molecular weight of 278.35 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-(4-aminophenyl)morpholine-4-carboxylate is sourced from PubChem (CID 67388382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).