methyl (2R)-1-(3-methoxy-4-methylbenzoyl)azetidine-2-carboxylate

C14H17NO4 — CID 68682554

IUPACmethyl (2R)-1-(3-methoxy-4-methylbenzoyl)azetidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCN1C(=O)c1ccc(C)c(OC)c1
InChIInChI=1S/C14H17NO4/c1-9-4-5-10(8-12(9)18-2)13(16)15-7-6-11(15)14(17)19-3/h4-5,8,11H,6-7H2,1-3H3/t11-/m1/s1
InChIKeyJFWMTEQKKVOJFW-LLVKDONJSA-N
MW263.29 g/mol
LogP1.39
Rot. Bonds3

About methyl (2R)-1-(3-methoxy-4-methylbenzoyl)azetidine-2-carboxylate

methyl (2R)-1-(3-methoxy-4-methylbenzoyl)azetidine-2-carboxylate (PubChem CID 68682554) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is methyl (2R)-1-(3-methoxy-4-methylbenzoyl)azetidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-(3-methoxy-4-methylbenzoyl)azetidine-2-carboxylate
PubChem CID68682554
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namemethyl (2R)-1-(3-methoxy-4-methylbenzoyl)azetidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCN1C(=O)c1ccc(C)c(OC)c1
InChIInChI=1S/C14H17NO4/c1-9-4-5-10(8-12(9)18-2)13(16)15-7-6-11(15)14(17)19-3/h4-5,8,11H,6-7H2,1-3H3/t11-/m1/s1
InChIKeyJFWMTEQKKVOJFW-LLVKDONJSA-N
XLogP1.39
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-hydroxy-1-(3-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxylate
CID 115971048
methyl 1-(3-fluoro-4-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 43410118
methyl (2R)-1-(3-iodo-4-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 1226630
(3-methoxy-4-methylphenyl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95291169
methyl (2R)-1-(4-hydroxy-3-methylbenzoyl)piperidine-2-carboxylate
CID 103957429
(3-methoxy-4-methylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81484301
(4-chloropiperidin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 55183162
methyl 1-(3,4-dimethoxy-5-prop-1-ynylbenzoyl)azetidine-2-carboxylate
CID 68685300
methyl (2R)-1-(3,5-dimethyl-4-nitrobenzoyl)azetidine-2-carboxylate
CID 68686344
methyl (2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 22212303
methyl 1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 531501
[2-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 63255158

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-(3-methoxy-4-methylbenzoyl)azetidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-(3-methoxy-4-methylbenzoyl)azetidine-2-carboxylate (CID 68682554) is methyl (2R)-1-(3-methoxy-4-methylbenzoyl)azetidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-(3-methoxy-4-methylbenzoyl)azetidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-(3-methoxy-4-methylbenzoyl)azetidine-2-carboxylate is COC(=O)[C@H]1CCN1C(=O)c1ccc(C)c(OC)c1.
What is the InChIKey of methyl (2R)-1-(3-methoxy-4-methylbenzoyl)azetidine-2-carboxylate?
The InChIKey is JFWMTEQKKVOJFW-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17NO4/c1-9-4-5-10(8-12(9)18-2)13(16)15-7-6-11(15)14(17)19-3/h4-5,8,11H,6-7H2,1-3H3/t11-/m1/s1.
What are the key properties of methyl (2R)-1-(3-methoxy-4-methylbenzoyl)azetidine-2-carboxylate?
methyl (2R)-1-(3-methoxy-4-methylbenzoyl)azetidine-2-carboxylate has a molecular weight of 263.29 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-(3-methoxy-4-methylbenzoyl)azetidine-2-carboxylate is sourced from PubChem (CID 68682554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).