tert-butyl (3R)-3-(5-amino-2-methoxycarbonyl-4-pyridinyl)morpholine-4-carboxylate

C16H23N3O5 — CID 177204743

IUPACtert-butyl (3R)-3-(5-amino-2-methoxycarbonyl-4-pyridinyl)morpholine-4-carboxylate
SMILESCOC(=O)c1cc([C@@H]2COCCN2C(=O)OC(C)(C)C)c(N)cn1
InChIInChI=1S/C16H23N3O5/c1-16(2,3)24-15(21)19-5-6-23-9-13(19)10-7-12(14(20)22-4)18-8-11(10)17/h7-8,13H,5-6,9,17H2,1-4H3/t13-/m0/s1
InChIKeyFHDBOYRPMNNJQE-ZDUSSCGKSA-N
MW337.38 g/mol
LogP1.76
Rot. Bonds2

About tert-butyl (3R)-3-(5-amino-2-methoxycarbonyl-4-pyridinyl)morpholine-4-carboxylate

tert-butyl (3R)-3-(5-amino-2-methoxycarbonyl-4-pyridinyl)morpholine-4-carboxylate (PubChem CID 177204743) has the molecular formula C16H23N3O5 and a molecular weight of 337.38 g/mol. Its IUPAC name is tert-butyl (3R)-3-(5-amino-2-methoxycarbonyl-4-pyridinyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-(5-amino-2-methoxycarbonyl-4-pyridinyl)morpholine-4-carboxylate
PubChem CID177204743
Molecular FormulaC16H23N3O5
Molecular Weight337.38 g/mol
Exact Mass337.16
IUPAC Nametert-butyl (3R)-3-(5-amino-2-methoxycarbonyl-4-pyridinyl)morpholine-4-carboxylate
SMILESCOC(=O)c1cc([C@@H]2COCCN2C(=O)OC(C)(C)C)c(N)cn1
InChIInChI=1S/C16H23N3O5/c1-16(2,3)24-15(21)19-5-6-23-9-13(19)10-7-12(14(20)22-4)18-8-11(10)17/h7-8,13H,5-6,9,17H2,1-4H3/t13-/m0/s1
InChIKeyFHDBOYRPMNNJQE-ZDUSSCGKSA-N
XLogP1.76
TPSA103.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(5-amino-2-methoxycarbonyl-4-pyridinyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl (3R)-3-(5-amino-2-methoxycarbonyl-4-pyridinyl)morpholine-4-carboxylate (CID 177204743) is tert-butyl (3R)-3-(5-amino-2-methoxycarbonyl-4-pyridinyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-(5-amino-2-methoxycarbonyl-4-pyridinyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-(5-amino-2-methoxycarbonyl-4-pyridinyl)morpholine-4-carboxylate is COC(=O)c1cc([C@@H]2COCCN2C(=O)OC(C)(C)C)c(N)cn1.
What is the InChIKey of tert-butyl (3R)-3-(5-amino-2-methoxycarbonyl-4-pyridinyl)morpholine-4-carboxylate?
The InChIKey is FHDBOYRPMNNJQE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N3O5/c1-16(2,3)24-15(21)19-5-6-23-9-13(19)10-7-12(14(20)22-4)18-8-11(10)17/h7-8,13H,5-6,9,17H2,1-4H3/t13-/m0/s1.
What are the key properties of tert-butyl (3R)-3-(5-amino-2-methoxycarbonyl-4-pyridinyl)morpholine-4-carboxylate?
tert-butyl (3R)-3-(5-amino-2-methoxycarbonyl-4-pyridinyl)morpholine-4-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-(5-amino-2-methoxycarbonyl-4-pyridinyl)morpholine-4-carboxylate is sourced from PubChem (CID 177204743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).