methyl 2-methoxy-3-morpholin-4-ylbenzoate

C13H17NO4 — CID 162506076

IUPACmethyl 2-methoxy-3-morpholin-4-ylbenzoate
SMILESCOC(=O)c1cccc(N2CCOCC2)c1OC
InChIInChI=1S/C13H17NO4/c1-16-12-10(13(15)17-2)4-3-5-11(12)14-6-8-18-9-7-14/h3-5H,6-9H2,1-2H3
InChIKeyKKKDEEMMOXHBPW-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.32
Rot. Bonds3

About methyl 2-methoxy-3-morpholin-4-ylbenzoate

methyl 2-methoxy-3-morpholin-4-ylbenzoate (PubChem CID 162506076) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is methyl 2-methoxy-3-morpholin-4-ylbenzoate.

Molecular Properties

Compound Namemethyl 2-methoxy-3-morpholin-4-ylbenzoate
PubChem CID162506076
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Namemethyl 2-methoxy-3-morpholin-4-ylbenzoate
SMILESCOC(=O)c1cccc(N2CCOCC2)c1OC
InChIInChI=1S/C13H17NO4/c1-16-12-10(13(15)17-2)4-3-5-11(12)14-6-8-18-9-7-14/h3-5H,6-9H2,1-2H3
InChIKeyKKKDEEMMOXHBPW-UHFFFAOYSA-N
XLogP1.32
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-chloro-3-morpholin-4-ylbenzoate
CID 166766817
methyl 2-[2-[(2-morpholin-4-ylphenyl)methylamino]-2-oxoethyl]benzoate
CID 75440397
methyl 3-amino-2-morpholin-4-ylbenzoate
CID 112577589
(4-morpholin-4-ylnaphthalene-1-carbonyl) 4-morpholin-4-ylnaphthalene-1-carboxylate
CID 87307439
methyl 2-(azetidin-1-yl)benzoate
CID 131095388
ethane;methyl 2-chloro-6-morpholin-4-ylbenzoate
CID 144574746
methyl 2-[2-(4-fluorophenyl)ethenyl]-3-morpholin-4-ylbenzoate
CID 175443779
methyl 2-morpholin-4-yl-5-sulfanylbenzoate
CID 71105835
methyl 2-amino-3-(4-phenylpiperazin-1-yl)benzoate
CID 170180022
2-morpholin-4-ylbenzohydrazide
CID 7148386
methyl 2-morpholin-4-yl-5-(naphthalen-1-ylmethylamino)benzoate
CID 2035033
N-[4-(4-methoxyphenoxy)phenyl]-2-morpholin-4-ylbenzamide
CID 131937049

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-3-morpholin-4-ylbenzoate?
The IUPAC name of methyl 2-methoxy-3-morpholin-4-ylbenzoate (CID 162506076) is methyl 2-methoxy-3-morpholin-4-ylbenzoate.
What is the SMILES notation for methyl 2-methoxy-3-morpholin-4-ylbenzoate?
The canonical SMILES for methyl 2-methoxy-3-morpholin-4-ylbenzoate is COC(=O)c1cccc(N2CCOCC2)c1OC.
What is the InChIKey of methyl 2-methoxy-3-morpholin-4-ylbenzoate?
The InChIKey is KKKDEEMMOXHBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-16-12-10(13(15)17-2)4-3-5-11(12)14-6-8-18-9-7-14/h3-5H,6-9H2,1-2H3.
What are the key properties of methyl 2-methoxy-3-morpholin-4-ylbenzoate?
methyl 2-methoxy-3-morpholin-4-ylbenzoate has a molecular weight of 251.28 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-3-morpholin-4-ylbenzoate is sourced from PubChem (CID 162506076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).