tert-butyl (2R)-2-methoxyazetidine-1-carboxylate

C9H17NO3 — CID 174358225

IUPACtert-butyl (2R)-2-methoxyazetidine-1-carboxylate
SMILESCO[C@@H]1CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C9H17NO3/c1-9(2,3)13-8(11)10-6-5-7(10)12-4/h7H,5-6H2,1-4H3/t7-/m1/s1
InChIKeyQAVYQSGQUFUXJM-SSDOTTSWSA-N
MW187.24 g/mol
LogP1.60
Rot. Bonds1

About tert-butyl (2R)-2-methoxyazetidine-1-carboxylate

tert-butyl (2R)-2-methoxyazetidine-1-carboxylate (PubChem CID 174358225) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is tert-butyl (2R)-2-methoxyazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-methoxyazetidine-1-carboxylate
PubChem CID174358225
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nametert-butyl (2R)-2-methoxyazetidine-1-carboxylate
SMILESCO[C@@H]1CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C9H17NO3/c1-9(2,3)13-8(11)10-6-5-7(10)12-4/h7H,5-6H2,1-4H3/t7-/m1/s1
InChIKeyQAVYQSGQUFUXJM-SSDOTTSWSA-N
XLogP1.60
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R)-2-methoxypyrrolidine-1-carboxylate;methanol
CID 66592390
tert-butyl 2-methoxypiperidine-1-carboxylate
CID 11424460
methyl 2-methoxyazetidine-1-carboxylate
CID 139914058
tert-butyl 2-methoxypiperazine-1-carboxylate
CID 101126129
tert-butyl (2S)-3-methoxy-2-methylpyrrolidine-1-carboxylate
CID 166870611
tert-butyl 2-fluoro-3-methoxypyrrolidine-1-carboxylate
CID 141455162
tert-butyl (2R)-2-aminoazetidine-1-carboxylate
CID 25417768
tert-butyl (2S)-2-tert-butyl-3-hydroxypyrrolidine-1-carboxylate
CID 141408169
1-O-tert-butyl 2-O-methyl (2S)-azetidine-1,2-dicarboxylate
CID 14821736
3-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 22324543
tert-butyl 4-(4-bromophenyl)-2-methoxypiperidine-1-carboxylate
CID 164585394
ditert-butyl azetidine-1,2-dicarboxylate
CID 14821737

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-methoxyazetidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-methoxyazetidine-1-carboxylate (CID 174358225) is tert-butyl (2R)-2-methoxyazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-methoxyazetidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-methoxyazetidine-1-carboxylate is CO[C@@H]1CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-methoxyazetidine-1-carboxylate?
The InChIKey is QAVYQSGQUFUXJM-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H17NO3/c1-9(2,3)13-8(11)10-6-5-7(10)12-4/h7H,5-6H2,1-4H3/t7-/m1/s1.
What are the key properties of tert-butyl (2R)-2-methoxyazetidine-1-carboxylate?
tert-butyl (2R)-2-methoxyazetidine-1-carboxylate has a molecular weight of 187.24 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-methoxyazetidine-1-carboxylate is sourced from PubChem (CID 174358225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).