benzyl (2R,3R)-3-methoxy-2-methylazetidine-1-carboxylate

C13H17NO3 — CID 168975628

IUPACbenzyl (2R,3R)-3-methoxy-2-methylazetidine-1-carboxylate
SMILESCO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H]1C
InChIInChI=1S/C13H17NO3/c1-10-12(16-2)8-14(10)13(15)17-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t10-,12-/m1/s1
InChIKeyDRHPDEFHFGYJKV-ZYHUDNBSSA-N
MW235.28 g/mol
LogP2.04
Rot. Bonds3

About benzyl (2R,3R)-3-methoxy-2-methylazetidine-1-carboxylate

benzyl (2R,3R)-3-methoxy-2-methylazetidine-1-carboxylate (PubChem CID 168975628) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is benzyl (2R,3R)-3-methoxy-2-methylazetidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R,3R)-3-methoxy-2-methylazetidine-1-carboxylate
PubChem CID168975628
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namebenzyl (2R,3R)-3-methoxy-2-methylazetidine-1-carboxylate
SMILESCO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H]1C
InChIInChI=1S/C13H17NO3/c1-10-12(16-2)8-14(10)13(15)17-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t10-,12-/m1/s1
InChIKeyDRHPDEFHFGYJKV-ZYHUDNBSSA-N
XLogP2.04
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (2R,3S)-3-amino-2-methylazetidine-1-carboxylate
CID 170915415
benzyl (3S)-3,4-dimethoxypyrrolidine-1-carboxylate
CID 142802088
benzyl 3-methoxy-2-(methylcarbamoyl)azetidine-1-carboxylate
CID 69328945
benzyl 3-(aminomethyl)-2-methylazetidine-1-carboxylate
CID 131028084
benzyl (2S,3S,4R)-2-(cyanomethyl)-4-methoxy-3-methylpyrrolidine-1-carboxylate
CID 140741847
benzyl (1S,4R,5R)-4-methoxy-6-oxo-2-azabicyclo[3.3.1]nonane-2-carboxylate
CID 146167674
(3S,4R)-4-methoxy-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 58284680
benzyl (2R,5S)-5-methoxy-2-methylpiperidine-1-carboxylate
CID 130369185
benzyl (3S,4R,5R)-3,4-dihydroxy-5-methoxypiperidine-1-carboxylate
CID 42638861
benzyl 3-fluoro-4-methoxypyrrolidine-1-carboxylate
CID 20746063
benzyl (3R,4R)-4-hydroxy-3-methoxypiperidine-1-carboxylate
CID 90178387
benzyl (3S,4R)-4-ethyl-3-methoxypiperidine-1-carboxylate
CID 70943335

Frequently Asked Questions

What is the IUPAC name of benzyl (2R,3R)-3-methoxy-2-methylazetidine-1-carboxylate?
The IUPAC name of benzyl (2R,3R)-3-methoxy-2-methylazetidine-1-carboxylate (CID 168975628) is benzyl (2R,3R)-3-methoxy-2-methylazetidine-1-carboxylate.
What is the SMILES notation for benzyl (2R,3R)-3-methoxy-2-methylazetidine-1-carboxylate?
The canonical SMILES for benzyl (2R,3R)-3-methoxy-2-methylazetidine-1-carboxylate is CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H]1C.
What is the InChIKey of benzyl (2R,3R)-3-methoxy-2-methylazetidine-1-carboxylate?
The InChIKey is DRHPDEFHFGYJKV-ZYHUDNBSSA-N. The full InChI is InChI=1S/C13H17NO3/c1-10-12(16-2)8-14(10)13(15)17-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t10-,12-/m1/s1.
What are the key properties of benzyl (2R,3R)-3-methoxy-2-methylazetidine-1-carboxylate?
benzyl (2R,3R)-3-methoxy-2-methylazetidine-1-carboxylate has a molecular weight of 235.28 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R,3R)-3-methoxy-2-methylazetidine-1-carboxylate is sourced from PubChem (CID 168975628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).