tert-butyl 3-(4-amino-2-pyridinyl)morpholine-4-carboxylate

C14H21N3O3 — CID 166160542

IUPACtert-butyl 3-(4-amino-2-pyridinyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1c1cc(N)ccn1
InChIInChI=1S/C14H21N3O3/c1-14(2,3)20-13(18)17-6-7-19-9-12(17)11-8-10(15)4-5-16-11/h4-5,8,12H,6-7,9H2,1-3H3,(H2,15,16)
InChIKeyKMYHGIXZEXRJPO-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.97
Rot. Bonds1

About tert-butyl 3-(4-amino-2-pyridinyl)morpholine-4-carboxylate

tert-butyl 3-(4-amino-2-pyridinyl)morpholine-4-carboxylate (PubChem CID 166160542) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is tert-butyl 3-(4-amino-2-pyridinyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(4-amino-2-pyridinyl)morpholine-4-carboxylate
PubChem CID166160542
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Nametert-butyl 3-(4-amino-2-pyridinyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1c1cc(N)ccn1
InChIInChI=1S/C14H21N3O3/c1-14(2,3)20-13(18)17-6-7-19-9-12(17)11-8-10(15)4-5-16-11/h4-5,8,12H,6-7,9H2,1-3H3,(H2,15,16)
InChIKeyKMYHGIXZEXRJPO-UHFFFAOYSA-N
XLogP1.97
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-(5-aminopyrimidin-2-yl)morpholine-4-carboxylate
CID 172992700
tert-butyl (3R)-3-(4-aminophenyl)morpholine-4-carboxylate
CID 67388382
tert-butyl (3S)-3-(4-amino-2-chlorophenyl)morpholine-4-carboxylate
CID 172748859
4-[(3R)-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]benzoic acid
CID 167734448
tert-butyl (3R)-3-(5-amino-2-methoxycarbonyl-4-pyridinyl)morpholine-4-carboxylate
CID 177204743
tert-butyl (3S)-3-(1,2,4-oxadiazol-5-yl)morpholine-4-carboxylate
CID 124709726
tert-butyl 3-(5-amino-2-chlorophenyl)-1,4-oxazepane-4-carboxylate
CID 146193874
tert-butyl 3-[1-(5-amino-3-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]morpholine-4-carboxylate
CID 177148199
tert-butyl 3-(6-chloroisoquinolin-8-yl)morpholine-4-carboxylate
CID 164912666
tert-butyl (3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine-4-carboxylate
CID 97184598
tert-butyl 3-(pyrazine-2-carbonyl)morpholine-4-carboxylate
CID 103554099
tert-butyl 3-(2-hydroxypropan-2-yl)morpholine-4-carboxylate
CID 155289654

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4-amino-2-pyridinyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-(4-amino-2-pyridinyl)morpholine-4-carboxylate (CID 166160542) is tert-butyl 3-(4-amino-2-pyridinyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-(4-amino-2-pyridinyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-(4-amino-2-pyridinyl)morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOCC1c1cc(N)ccn1.
What is the InChIKey of tert-butyl 3-(4-amino-2-pyridinyl)morpholine-4-carboxylate?
The InChIKey is KMYHGIXZEXRJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-14(2,3)20-13(18)17-6-7-19-9-12(17)11-8-10(15)4-5-16-11/h4-5,8,12H,6-7,9H2,1-3H3,(H2,15,16).
What are the key properties of tert-butyl 3-(4-amino-2-pyridinyl)morpholine-4-carboxylate?
tert-butyl 3-(4-amino-2-pyridinyl)morpholine-4-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(4-amino-2-pyridinyl)morpholine-4-carboxylate is sourced from PubChem (CID 166160542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).