tert-butyl 2-[(6-methoxy-3-pyridinyl)carbamoyl]azetidine-1-carboxylate

C15H21N3O4 — CID 162353607

IUPACtert-butyl 2-[(6-methoxy-3-pyridinyl)carbamoyl]azetidine-1-carboxylate
SMILESCOc1ccc(NC(=O)C2CCN2C(=O)OC(C)(C)C)cn1
InChIInChI=1S/C15H21N3O4/c1-15(2,3)22-14(20)18-8-7-11(18)13(19)17-10-5-6-12(21-4)16-9-10/h5-6,9,11H,7-8H2,1-4H3,(H,17,19)
InChIKeyCBIOWRPFRBWGBR-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.04
Rot. Bonds3

About tert-butyl 2-[(6-methoxy-3-pyridinyl)carbamoyl]azetidine-1-carboxylate

tert-butyl 2-[(6-methoxy-3-pyridinyl)carbamoyl]azetidine-1-carboxylate (PubChem CID 162353607) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is tert-butyl 2-[(6-methoxy-3-pyridinyl)carbamoyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(6-methoxy-3-pyridinyl)carbamoyl]azetidine-1-carboxylate
PubChem CID162353607
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Nametert-butyl 2-[(6-methoxy-3-pyridinyl)carbamoyl]azetidine-1-carboxylate
SMILESCOc1ccc(NC(=O)C2CCN2C(=O)OC(C)(C)C)cn1
InChIInChI=1S/C15H21N3O4/c1-15(2,3)22-14(20)18-8-7-11(18)13(19)17-10-5-6-12(21-4)16-9-10/h5-6,9,11H,7-8H2,1-4H3,(H,17,19)
InChIKeyCBIOWRPFRBWGBR-UHFFFAOYSA-N
XLogP2.04
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(6-methoxy-3-pyridinyl)carbamoyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[(6-methoxy-3-pyridinyl)carbamoyl]azetidine-1-carboxylate (CID 162353607) is tert-butyl 2-[(6-methoxy-3-pyridinyl)carbamoyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[(6-methoxy-3-pyridinyl)carbamoyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[(6-methoxy-3-pyridinyl)carbamoyl]azetidine-1-carboxylate is COc1ccc(NC(=O)C2CCN2C(=O)OC(C)(C)C)cn1.
What is the InChIKey of tert-butyl 2-[(6-methoxy-3-pyridinyl)carbamoyl]azetidine-1-carboxylate?
The InChIKey is CBIOWRPFRBWGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-15(2,3)22-14(20)18-8-7-11(18)13(19)17-10-5-6-12(21-4)16-9-10/h5-6,9,11H,7-8H2,1-4H3,(H,17,19).
What are the key properties of tert-butyl 2-[(6-methoxy-3-pyridinyl)carbamoyl]azetidine-1-carboxylate?
tert-butyl 2-[(6-methoxy-3-pyridinyl)carbamoyl]azetidine-1-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(6-methoxy-3-pyridinyl)carbamoyl]azetidine-1-carboxylate is sourced from PubChem (CID 162353607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).