tert-butyl (3S)-3-[(6-amino-4-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate

C15H23N3O3 — CID 170725757

IUPACtert-butyl (3S)-3-[(6-amino-4-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
SMILESCc1cc(N)nc(O[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1
InChIInChI=1S/C15H23N3O3/c1-10-7-12(16)17-13(8-10)20-11-5-6-18(9-11)14(19)21-15(2,3)4/h7-8,11H,5-6,9H2,1-4H3,(H2,16,17)/t11-/m0/s1
InChIKeyWZKYLCGMLHAVPC-NSHDSACASA-N
MW293.37 g/mol
LogP2.36
Rot. Bonds2

About tert-butyl (3S)-3-[(6-amino-4-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate

tert-butyl (3S)-3-[(6-amino-4-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate (PubChem CID 170725757) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is tert-butyl (3S)-3-[(6-amino-4-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[(6-amino-4-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
PubChem CID170725757
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nametert-butyl (3S)-3-[(6-amino-4-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
SMILESCc1cc(N)nc(O[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1
InChIInChI=1S/C15H23N3O3/c1-10-7-12(16)17-13(8-10)20-11-5-6-18(9-11)14(19)21-15(2,3)4/h7-8,11H,5-6,9H2,1-4H3,(H2,16,17)/t11-/m0/s1
InChIKeyWZKYLCGMLHAVPC-NSHDSACASA-N
XLogP2.36
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[(6-amino-4-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-[(6-amino-4-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate (CID 170725757) is tert-butyl (3S)-3-[(6-amino-4-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-[(6-amino-4-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-[(6-amino-4-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate is Cc1cc(N)nc(O[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1.
What is the InChIKey of tert-butyl (3S)-3-[(6-amino-4-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate?
The InChIKey is WZKYLCGMLHAVPC-NSHDSACASA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10-7-12(16)17-13(8-10)20-11-5-6-18(9-11)14(19)21-15(2,3)4/h7-8,11H,5-6,9H2,1-4H3,(H2,16,17)/t11-/m0/s1.
What are the key properties of tert-butyl (3S)-3-[(6-amino-4-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate?
tert-butyl (3S)-3-[(6-amino-4-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[(6-amino-4-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate is sourced from PubChem (CID 170725757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).