4-(3-methoxy-4-prop-2-enoxybenzoyl)morpholine-2-carboxylic acid

C16H19NO6 — CID 119239104

IUPAC4-(3-methoxy-4-prop-2-enoxybenzoyl)morpholine-2-carboxylic acid
SMILESC=CCOc1ccc(C(=O)N2CCOC(C(=O)O)C2)cc1OC
InChIInChI=1S/C16H19NO6/c1-3-7-22-12-5-4-11(9-13(12)21-2)15(18)17-6-8-23-14(10-17)16(19)20/h3-5,9,14H,1,6-8,10H2,2H3,(H,19,20)
InChIKeyBPHJEBLOEBGRHH-UHFFFAOYSA-N
MW321.33 g/mol
LogP1.19
Rot. Bonds6

About 4-(3-methoxy-4-prop-2-enoxybenzoyl)morpholine-2-carboxylic acid

4-(3-methoxy-4-prop-2-enoxybenzoyl)morpholine-2-carboxylic acid (PubChem CID 119239104) has the molecular formula C16H19NO6 and a molecular weight of 321.33 g/mol. Its IUPAC name is 4-(3-methoxy-4-prop-2-enoxybenzoyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-methoxy-4-prop-2-enoxybenzoyl)morpholine-2-carboxylic acid
PubChem CID119239104
Molecular FormulaC16H19NO6
Molecular Weight321.33 g/mol
Exact Mass321.12
IUPAC Name4-(3-methoxy-4-prop-2-enoxybenzoyl)morpholine-2-carboxylic acid
SMILESC=CCOc1ccc(C(=O)N2CCOC(C(=O)O)C2)cc1OC
InChIInChI=1S/C16H19NO6/c1-3-7-22-12-5-4-11(9-13(12)21-2)15(18)17-6-8-23-14(10-17)16(19)20/h3-5,9,14H,1,6-8,10H2,2H3,(H,19,20)
InChIKeyBPHJEBLOEBGRHH-UHFFFAOYSA-N
XLogP1.19
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[3-methoxy-4-(2-methylpropoxy)benzoyl]morpholine-2-carboxylic acid
CID 119357851
4-[3-(difluoromethoxy)-4-methoxybenzoyl]morpholine-2-carboxylic acid
CID 119238801
(2R)-4-(4-bromo-3,5-dimethoxybenzoyl)morpholine-2-carboxylic acid
CID 129466116
(3-methoxy-4-prop-2-enoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119492614
4-[4-methoxy-3-(methylsulfamoyl)benzoyl]morpholine-2-carboxylic acid
CID 119239861
[2-(chloromethyl)morpholin-4-yl]-(3,4-dimethoxyphenyl)methanone
CID 81210339
(3,4-dimethoxyphenyl)-(2-phenylmorpholin-4-yl)methanone
CID 16894714
methyl 4-(3-amino-4-methoxybenzoyl)morpholine-2-carboxylate
CID 115533204
[1-(3-methoxy-4-prop-2-enoxybenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 55950584
4-(3-chloro-5-methoxy-4-propoxybenzoyl)morpholine-2-carboxylic acid
CID 119239798
4-(3-methoxy-4-prop-2-enoxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 32504642
[4-(benzenesulfonyl)piperazin-1-yl]-(3-methoxy-4-prop-2-enoxyphenyl)methanone
CID 27510394

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-4-prop-2-enoxybenzoyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(3-methoxy-4-prop-2-enoxybenzoyl)morpholine-2-carboxylic acid (CID 119239104) is 4-(3-methoxy-4-prop-2-enoxybenzoyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(3-methoxy-4-prop-2-enoxybenzoyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(3-methoxy-4-prop-2-enoxybenzoyl)morpholine-2-carboxylic acid is C=CCOc1ccc(C(=O)N2CCOC(C(=O)O)C2)cc1OC.
What is the InChIKey of 4-(3-methoxy-4-prop-2-enoxybenzoyl)morpholine-2-carboxylic acid?
The InChIKey is BPHJEBLOEBGRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO6/c1-3-7-22-12-5-4-11(9-13(12)21-2)15(18)17-6-8-23-14(10-17)16(19)20/h3-5,9,14H,1,6-8,10H2,2H3,(H,19,20).
What are the key properties of 4-(3-methoxy-4-prop-2-enoxybenzoyl)morpholine-2-carboxylic acid?
4-(3-methoxy-4-prop-2-enoxybenzoyl)morpholine-2-carboxylic acid has a molecular weight of 321.33 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-4-prop-2-enoxybenzoyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 119239104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).