tert-butyl (2S,4R)-4-[(7-methoxy-1,8-naphthyridin-2-yl)oxy]-2-methylpyrrolidine-1-carboxylate

C19H25N3O4 — CID 154675902

IUPACtert-butyl (2S,4R)-4-[(7-methoxy-1,8-naphthyridin-2-yl)oxy]-2-methylpyrrolidine-1-carboxylate
SMILESCOc1ccc2ccc(O[C@@H]3C[C@H](C)N(C(=O)OC(C)(C)C)C3)nc2n1
InChIInChI=1S/C19H25N3O4/c1-12-10-14(11-22(12)18(23)26-19(2,3)4)25-16-9-7-13-6-8-15(24-5)20-17(13)21-16/h6-9,12,14H,10-11H2,1-5H3/t12-,14+/m0/s1
InChIKeyDAAUJPHRUGMVJE-GXTWGEPZSA-N
MW359.43 g/mol
LogP3.42
Rot. Bonds3

About tert-butyl (2S,4R)-4-[(7-methoxy-1,8-naphthyridin-2-yl)oxy]-2-methylpyrrolidine-1-carboxylate

tert-butyl (2S,4R)-4-[(7-methoxy-1,8-naphthyridin-2-yl)oxy]-2-methylpyrrolidine-1-carboxylate (PubChem CID 154675902) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is tert-butyl (2S,4R)-4-[(7-methoxy-1,8-naphthyridin-2-yl)oxy]-2-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4R)-4-[(7-methoxy-1,8-naphthyridin-2-yl)oxy]-2-methylpyrrolidine-1-carboxylate
PubChem CID154675902
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Nametert-butyl (2S,4R)-4-[(7-methoxy-1,8-naphthyridin-2-yl)oxy]-2-methylpyrrolidine-1-carboxylate
SMILESCOc1ccc2ccc(O[C@@H]3C[C@H](C)N(C(=O)OC(C)(C)C)C3)nc2n1
InChIInChI=1S/C19H25N3O4/c1-12-10-14(11-22(12)18(23)26-19(2,3)4)25-16-9-7-13-6-8-15(24-5)20-17(13)21-16/h6-9,12,14H,10-11H2,1-5H3/t12-,14+/m0/s1
InChIKeyDAAUJPHRUGMVJE-GXTWGEPZSA-N
XLogP3.42
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4R)-4-[(7-methoxy-1,8-naphthyridin-2-yl)oxy]-2-methylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4R)-4-[(7-methoxy-1,8-naphthyridin-2-yl)oxy]-2-methylpyrrolidine-1-carboxylate (CID 154675902) is tert-butyl (2S,4R)-4-[(7-methoxy-1,8-naphthyridin-2-yl)oxy]-2-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4R)-4-[(7-methoxy-1,8-naphthyridin-2-yl)oxy]-2-methylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4R)-4-[(7-methoxy-1,8-naphthyridin-2-yl)oxy]-2-methylpyrrolidine-1-carboxylate is COc1ccc2ccc(O[C@@H]3C[C@H](C)N(C(=O)OC(C)(C)C)C3)nc2n1.
What is the InChIKey of tert-butyl (2S,4R)-4-[(7-methoxy-1,8-naphthyridin-2-yl)oxy]-2-methylpyrrolidine-1-carboxylate?
The InChIKey is DAAUJPHRUGMVJE-GXTWGEPZSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-12-10-14(11-22(12)18(23)26-19(2,3)4)25-16-9-7-13-6-8-15(24-5)20-17(13)21-16/h6-9,12,14H,10-11H2,1-5H3/t12-,14+/m0/s1.
What are the key properties of tert-butyl (2S,4R)-4-[(7-methoxy-1,8-naphthyridin-2-yl)oxy]-2-methylpyrrolidine-1-carboxylate?
tert-butyl (2S,4R)-4-[(7-methoxy-1,8-naphthyridin-2-yl)oxy]-2-methylpyrrolidine-1-carboxylate has a molecular weight of 359.43 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4R)-4-[(7-methoxy-1,8-naphthyridin-2-yl)oxy]-2-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 154675902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).