tert-butyl (2S)-2-(6-amino-2-pyridinyl)morpholine-4-carboxylate

C14H21N3O3 — CID 129322939

IUPACtert-butyl (2S)-2-(6-amino-2-pyridinyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCO[C@H](c2cccc(N)n2)C1
InChIInChI=1S/C14H21N3O3/c1-14(2,3)20-13(18)17-7-8-19-11(9-17)10-5-4-6-12(15)16-10/h4-6,11H,7-9H2,1-3H3,(H2,15,16)/t11-/m0/s1
InChIKeyHBKMUPAKSWZFIO-NSHDSACASA-N
MW279.34 g/mol
LogP1.97
Rot. Bonds1

About tert-butyl (2S)-2-(6-amino-2-pyridinyl)morpholine-4-carboxylate

tert-butyl (2S)-2-(6-amino-2-pyridinyl)morpholine-4-carboxylate (PubChem CID 129322939) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is tert-butyl (2S)-2-(6-amino-2-pyridinyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(6-amino-2-pyridinyl)morpholine-4-carboxylate
PubChem CID129322939
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Nametert-butyl (2S)-2-(6-amino-2-pyridinyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCO[C@H](c2cccc(N)n2)C1
InChIInChI=1S/C14H21N3O3/c1-14(2,3)20-13(18)17-7-8-19-11(9-17)10-5-4-6-12(15)16-10/h4-6,11H,7-9H2,1-3H3,(H2,15,16)/t11-/m0/s1
InChIKeyHBKMUPAKSWZFIO-NSHDSACASA-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 2-(2-aminopyrimidin-4-yl)morpholine-4-carboxylate
CID 172992087
tert-butyl (2R)-2-(4-deuterio-2-pyridinyl)morpholine-4-carboxylate
CID 176629684
tert-butyl 2-phenylmorpholine-4-carboxylate
CID 58315777
[(2R)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-(2-methylpyrimidin-4-yl)methanone
CID 125016179
1-[2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(4-methoxyphenoxy)ethanone
CID 110112348
tert-butyl (2R)-2-(3-phenyl-1,2-oxazol-5-yl)morpholine-4-carboxylate
CID 124564337
3-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]-3-pyridinyl]benzoic acid
CID 175660676
[2-(6-amino-2-pyridinyl)morpholin-4-yl]-pyrimidin-4-ylmethanone
CID 110112317
tert-butyl 2-pyridin-3-ylmorpholine-4-carboxylate
CID 16737894
[(2R)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone
CID 124988458
tert-butyl 4-(6-aminopyridine-2-carbonyl)piperazine-1-carboxylate
CID 134342426
1-[(2S)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-cyclohexylethanone
CID 124970514

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(6-amino-2-pyridinyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl (2S)-2-(6-amino-2-pyridinyl)morpholine-4-carboxylate (CID 129322939) is tert-butyl (2S)-2-(6-amino-2-pyridinyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-(6-amino-2-pyridinyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-(6-amino-2-pyridinyl)morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCO[C@H](c2cccc(N)n2)C1.
What is the InChIKey of tert-butyl (2S)-2-(6-amino-2-pyridinyl)morpholine-4-carboxylate?
The InChIKey is HBKMUPAKSWZFIO-NSHDSACASA-N. The full InChI is InChI=1S/C14H21N3O3/c1-14(2,3)20-13(18)17-7-8-19-11(9-17)10-5-4-6-12(15)16-10/h4-6,11H,7-9H2,1-3H3,(H2,15,16)/t11-/m0/s1.
What are the key properties of tert-butyl (2S)-2-(6-amino-2-pyridinyl)morpholine-4-carboxylate?
tert-butyl (2S)-2-(6-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 (2S)-2-(6-amino-2-pyridinyl)morpholine-4-carboxylate is sourced from PubChem (CID 129322939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).