4-[3-methoxy-4-(2-methylpropoxy)benzoyl]morpholine-2-carboxylic acid

C17H23NO6 — CID 119357851

IUPAC4-[3-methoxy-4-(2-methylpropoxy)benzoyl]morpholine-2-carboxylic acid
SMILESCOc1cc(C(=O)N2CCOC(C(=O)O)C2)ccc1OCC(C)C
InChIInChI=1S/C17H23NO6/c1-11(2)10-24-13-5-4-12(8-14(13)22-3)16(19)18-6-7-23-15(9-18)17(20)21/h4-5,8,11,15H,6-7,9-10H2,1-3H3,(H,20,21)
InChIKeyKTNNTRXHBBCZJI-UHFFFAOYSA-N
MW337.37 g/mol
LogP1.66
Rot. Bonds6

About 4-[3-methoxy-4-(2-methylpropoxy)benzoyl]morpholine-2-carboxylic acid

4-[3-methoxy-4-(2-methylpropoxy)benzoyl]morpholine-2-carboxylic acid (PubChem CID 119357851) has the molecular formula C17H23NO6 and a molecular weight of 337.37 g/mol. Its IUPAC name is 4-[3-methoxy-4-(2-methylpropoxy)benzoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[3-methoxy-4-(2-methylpropoxy)benzoyl]morpholine-2-carboxylic acid
PubChem CID119357851
Molecular FormulaC17H23NO6
Molecular Weight337.37 g/mol
Exact Mass337.15
IUPAC Name4-[3-methoxy-4-(2-methylpropoxy)benzoyl]morpholine-2-carboxylic acid
SMILESCOc1cc(C(=O)N2CCOC(C(=O)O)C2)ccc1OCC(C)C
InChIInChI=1S/C17H23NO6/c1-11(2)10-24-13-5-4-12(8-14(13)22-3)16(19)18-6-7-23-15(9-18)17(20)21/h4-5,8,11,15H,6-7,9-10H2,1-3H3,(H,20,21)
InChIKeyKTNNTRXHBBCZJI-UHFFFAOYSA-N
XLogP1.66
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-methoxy-4-prop-2-enoxybenzoyl)morpholine-2-carboxylic acid
CID 119239104
4-[3-(2-methylpropoxy)benzoyl]morpholine-2-carboxylic acid
CID 119238893
4-[3-(difluoromethoxy)-4-methoxybenzoyl]morpholine-2-carboxylic acid
CID 119238801
azocan-1-yl-[3-methoxy-4-(2-methylpropoxy)phenyl]methanone
CID 112793157
(2R)-4-(4-bromo-3,5-dimethoxybenzoyl)morpholine-2-carboxylic acid
CID 129466116
4-[4-methoxy-3-(methylsulfamoyl)benzoyl]morpholine-2-carboxylic acid
CID 119239861
(2R)-4-[3-chloro-5-methoxy-4-(3-methylbutoxy)benzoyl]morpholine-2-carboxylic acid
CID 129468827
1-[3-methoxy-4-(3-methylbutoxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 119353645
4-(3-fluoro-4-methoxybenzoyl)morpholine-2-carbothioamide
CID 79675182
[2-(chloromethyl)morpholin-4-yl]-(3,4-dimethoxyphenyl)methanone
CID 81210339
[3-methoxy-4-(2-methylpropoxy)phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 112791438
(3,4-dimethoxyphenyl)-(2-phenylmorpholin-4-yl)methanone
CID 16894714

Frequently Asked Questions

What is the IUPAC name of 4-[3-methoxy-4-(2-methylpropoxy)benzoyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[3-methoxy-4-(2-methylpropoxy)benzoyl]morpholine-2-carboxylic acid (CID 119357851) is 4-[3-methoxy-4-(2-methylpropoxy)benzoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[3-methoxy-4-(2-methylpropoxy)benzoyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[3-methoxy-4-(2-methylpropoxy)benzoyl]morpholine-2-carboxylic acid is COc1cc(C(=O)N2CCOC(C(=O)O)C2)ccc1OCC(C)C.
What is the InChIKey of 4-[3-methoxy-4-(2-methylpropoxy)benzoyl]morpholine-2-carboxylic acid?
The InChIKey is KTNNTRXHBBCZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO6/c1-11(2)10-24-13-5-4-12(8-14(13)22-3)16(19)18-6-7-23-15(9-18)17(20)21/h4-5,8,11,15H,6-7,9-10H2,1-3H3,(H,20,21).
What are the key properties of 4-[3-methoxy-4-(2-methylpropoxy)benzoyl]morpholine-2-carboxylic acid?
4-[3-methoxy-4-(2-methylpropoxy)benzoyl]morpholine-2-carboxylic acid has a molecular weight of 337.37 g/mol, XLogP of 1.66, 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-(2-methylpropoxy)benzoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 119357851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).