(4-methoxycarbonylphenyl) morpholine-4-carboxylate

C13H15NO5 — CID 1080575

IUPAC(4-methoxycarbonylphenyl) morpholine-4-carboxylate
SMILESCOC(=O)c1ccc(OC(=O)N2CCOCC2)cc1
InChIInChI=1S/C13H15NO5/c1-17-12(15)10-2-4-11(5-3-10)19-13(16)14-6-8-18-9-7-14/h2-5H,6-9H2,1H3
InChIKeyOVUIIQXTDNFOCC-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.30
Rot. Bonds2

About (4-methoxycarbonylphenyl) morpholine-4-carboxylate

(4-methoxycarbonylphenyl) morpholine-4-carboxylate (PubChem CID 1080575) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is (4-methoxycarbonylphenyl) morpholine-4-carboxylate.

Molecular Properties

Compound Name(4-methoxycarbonylphenyl) morpholine-4-carboxylate
PubChem CID1080575
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name(4-methoxycarbonylphenyl) morpholine-4-carboxylate
SMILESCOC(=O)c1ccc(OC(=O)N2CCOCC2)cc1
InChIInChI=1S/C13H15NO5/c1-17-12(15)10-2-4-11(5-3-10)19-13(16)14-6-8-18-9-7-14/h2-5H,6-9H2,1H3
InChIKeyOVUIIQXTDNFOCC-UHFFFAOYSA-N
XLogP1.30
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Parethoxycaine
CID 7183
Benzoic acid, 4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
CID 8694
Propiophenone, 4'-methoxy-3-morpholino-, hydrochloride
CID 121159
4-(4-Methoxybenzoyl)morpholine
CID 82013
4-(2-Piperidinoethoxy)benzoic acid hydrochloride
CID 5743835
4-(2-Morpholin-4-yl-2-oxo-ethoxy)-benzaldehyde
CID 894260
Butoxycaine
CID 16882
4-Ethoxy-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester
CID 2913384
4-[2-(2-Oxopyrrolidin-1-yl)ethoxy]benzoic acid
CID 6497235
4-[2-(Acetylamino)ethoxy]benzoic acid
CID 660645
4-Hydroxy-benzoic acid 2-morpholin-4-yl-ethyl ester
CID 825035
Acetophenone, 4'-morpholinocarbonylmethoxy-
CID 34762

Frequently Asked Questions

What is the IUPAC name of (4-methoxycarbonylphenyl) morpholine-4-carboxylate?
The IUPAC name of (4-methoxycarbonylphenyl) morpholine-4-carboxylate (CID 1080575) is (4-methoxycarbonylphenyl) morpholine-4-carboxylate.
What is the SMILES notation for (4-methoxycarbonylphenyl) morpholine-4-carboxylate?
The canonical SMILES for (4-methoxycarbonylphenyl) morpholine-4-carboxylate is COC(=O)c1ccc(OC(=O)N2CCOCC2)cc1.
What is the InChIKey of (4-methoxycarbonylphenyl) morpholine-4-carboxylate?
The InChIKey is OVUIIQXTDNFOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-17-12(15)10-2-4-11(5-3-10)19-13(16)14-6-8-18-9-7-14/h2-5H,6-9H2,1H3.
What are the key properties of (4-methoxycarbonylphenyl) morpholine-4-carboxylate?
(4-methoxycarbonylphenyl) morpholine-4-carboxylate has a molecular weight of 265.26 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycarbonylphenyl) morpholine-4-carboxylate is sourced from PubChem (CID 1080575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).