methyl 3-(2,2,3-trimethylmorpholin-4-yl)benzoate

C15H21NO3 — CID 178103497

IUPACmethyl 3-(2,2,3-trimethylmorpholin-4-yl)benzoate
SMILESCOC(=O)c1cccc(N2CCOC(C)(C)C2C)c1
InChIInChI=1S/C15H21NO3/c1-11-15(2,3)19-9-8-16(11)13-7-5-6-12(10-13)14(17)18-4/h5-7,10-11H,8-9H2,1-4H3
InChIKeyVRRCDTXVTCDXST-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.48
Rot. Bonds2

About methyl 3-(2,2,3-trimethylmorpholin-4-yl)benzoate

methyl 3-(2,2,3-trimethylmorpholin-4-yl)benzoate (PubChem CID 178103497) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 3-(2,2,3-trimethylmorpholin-4-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-(2,2,3-trimethylmorpholin-4-yl)benzoate
PubChem CID178103497
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 3-(2,2,3-trimethylmorpholin-4-yl)benzoate
SMILESCOC(=O)c1cccc(N2CCOC(C)(C)C2C)c1
InChIInChI=1S/C15H21NO3/c1-11-15(2,3)19-9-8-16(11)13-7-5-6-12(10-13)14(17)18-4/h5-7,10-11H,8-9H2,1-4H3
InChIKeyVRRCDTXVTCDXST-UHFFFAOYSA-N
XLogP2.48
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2,3-diaminomorpholin-4-yl)benzoate
CID 174774066
4-(3-methoxycarbonylphenyl)morpholine-3-carboxylic acid
CID 117009158
methyl 4-(3-methoxy-2,2-dimethylmorpholin-4-yl)benzoate
CID 178103490
methyl 3-(3-amino-2,2-dimethylpiperidin-1-yl)benzoate
CID 117019246
methyl 3-(4-hydroxy-2,2-dimethylpiperidin-1-yl)benzoate
CID 117019990
methyl 3-(4-hydroxy-3,3-dimethylpiperidin-1-yl)benzoate
CID 117024249
methyl 3-[(2S)-2-propan-2-ylpiperazin-1-yl]benzoate
CID 45073000
methyl 3-(3-oxomorpholin-4-yl)benzoate
CID 165482126
CID 70265363
CID 70265363
CID 159558349
CID 159558349
methyl 3-(3-cyano-2,2-dimethylpyrrolidin-1-yl)benzoate
CID 117017237
methyl 3-acetylbenzoate
CID 15094405

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,2,3-trimethylmorpholin-4-yl)benzoate?
The IUPAC name of methyl 3-(2,2,3-trimethylmorpholin-4-yl)benzoate (CID 178103497) is methyl 3-(2,2,3-trimethylmorpholin-4-yl)benzoate.
What is the SMILES notation for methyl 3-(2,2,3-trimethylmorpholin-4-yl)benzoate?
The canonical SMILES for methyl 3-(2,2,3-trimethylmorpholin-4-yl)benzoate is COC(=O)c1cccc(N2CCOC(C)(C)C2C)c1.
What is the InChIKey of methyl 3-(2,2,3-trimethylmorpholin-4-yl)benzoate?
The InChIKey is VRRCDTXVTCDXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-15(2,3)19-9-8-16(11)13-7-5-6-12(10-13)14(17)18-4/h5-7,10-11H,8-9H2,1-4H3.
What are the key properties of methyl 3-(2,2,3-trimethylmorpholin-4-yl)benzoate?
methyl 3-(2,2,3-trimethylmorpholin-4-yl)benzoate has a molecular weight of 263.34 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,2,3-trimethylmorpholin-4-yl)benzoate is sourced from PubChem (CID 178103497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).