tert-butyl (3S)-3-[(5-methoxy-3-pyridinyl)oxy]pyrrolidine-1-carboxylate

C15H22N2O4 — CID 140872433

IUPACtert-butyl (3S)-3-[(5-methoxy-3-pyridinyl)oxy]pyrrolidine-1-carboxylate
SMILESCOc1cncc(O[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1
InChIInChI=1S/C15H22N2O4/c1-15(2,3)21-14(18)17-6-5-11(10-17)20-13-7-12(19-4)8-16-9-13/h7-9,11H,5-6,10H2,1-4H3/t11-/m0/s1
InChIKeyMZTVXTCXVYLKLN-NSHDSACASA-N
MW294.35 g/mol
LogP2.48
Rot. Bonds3

About tert-butyl (3S)-3-[(5-methoxy-3-pyridinyl)oxy]pyrrolidine-1-carboxylate

tert-butyl (3S)-3-[(5-methoxy-3-pyridinyl)oxy]pyrrolidine-1-carboxylate (PubChem CID 140872433) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is tert-butyl (3S)-3-[(5-methoxy-3-pyridinyl)oxy]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[(5-methoxy-3-pyridinyl)oxy]pyrrolidine-1-carboxylate
PubChem CID140872433
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Nametert-butyl (3S)-3-[(5-methoxy-3-pyridinyl)oxy]pyrrolidine-1-carboxylate
SMILESCOc1cncc(O[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1
InChIInChI=1S/C15H22N2O4/c1-15(2,3)21-14(18)17-6-5-11(10-17)20-13-7-12(19-4)8-16-9-13/h7-9,11H,5-6,10H2,1-4H3/t11-/m0/s1
InChIKeyMZTVXTCXVYLKLN-NSHDSACASA-N
XLogP2.48
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxypyridine-3-carboxylate
CID 69169990
tert-butyl 4-[(5-methyl-3-pyridinyl)oxy]piperidine-1-carboxylate
CID 145472944
tert-butyl 3-(5-methoxypyridine-3-carbonyl)pyrrolidine-1-carboxylate
CID 107092066
tert-butyl (3S)-3-[(2-methoxy-6-methyl-4-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 153376600
tert-butyl (3S)-3-(4-methoxycarbonylphenoxy)pyrrolidine-1-carboxylate
CID 58893828
tert-butyl 3-[(6-chloro-3-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 86696181
3-methoxy-5-(1-methylpyrrolidin-3-yl)oxypyridine
CID 134434870
tert-butyl 3-(4-sulfamoylphenoxy)pyrrolidine-1-carboxylate
CID 167488707
tert-butyl 3-(3-amino-5-chlorophenoxy)pyrrolidine-1-carboxylate
CID 164584435
tert-butyl (3S)-3-(4-formylphenoxy)pyrrolidine-1-carboxylate
CID 11779039
tert-butyl (3R)-3-hydroperoxypyrrolidine-1-carboxylate
CID 146427923
tert-butyl 3-[(3,5-dimethyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 134495004

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[(5-methoxy-3-pyridinyl)oxy]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-[(5-methoxy-3-pyridinyl)oxy]pyrrolidine-1-carboxylate (CID 140872433) is tert-butyl (3S)-3-[(5-methoxy-3-pyridinyl)oxy]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-[(5-methoxy-3-pyridinyl)oxy]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-[(5-methoxy-3-pyridinyl)oxy]pyrrolidine-1-carboxylate is COc1cncc(O[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1.
What is the InChIKey of tert-butyl (3S)-3-[(5-methoxy-3-pyridinyl)oxy]pyrrolidine-1-carboxylate?
The InChIKey is MZTVXTCXVYLKLN-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N2O4/c1-15(2,3)21-14(18)17-6-5-11(10-17)20-13-7-12(19-4)8-16-9-13/h7-9,11H,5-6,10H2,1-4H3/t11-/m0/s1.
What are the key properties of tert-butyl (3S)-3-[(5-methoxy-3-pyridinyl)oxy]pyrrolidine-1-carboxylate?
tert-butyl (3S)-3-[(5-methoxy-3-pyridinyl)oxy]pyrrolidine-1-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[(5-methoxy-3-pyridinyl)oxy]pyrrolidine-1-carboxylate is sourced from PubChem (CID 140872433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).