3-(4-methoxyphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid

C15H21NO4 — CID 63270699

IUPAC3-(4-methoxyphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid
SMILESCOc1ccc(CC(C)(C(=O)O)N2CCOCC2)cc1
InChIInChI=1S/C15H21NO4/c1-15(14(17)18,16-7-9-20-10-8-16)11-12-3-5-13(19-2)6-4-12/h3-6H,7-11H2,1-2H3,(H,17,18)
InChIKeyNEDLNRVFBDPDPB-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.41
Rot. Bonds5

About 3-(4-methoxyphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid

3-(4-methoxyphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid (PubChem CID 63270699) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid
PubChem CID63270699
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name3-(4-methoxyphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid
SMILESCOc1ccc(CC(C)(C(=O)O)N2CCOCC2)cc1
InChIInChI=1S/C15H21NO4/c1-15(14(17)18,16-7-9-20-10-8-16)11-12-3-5-13(19-2)6-4-12/h3-6H,7-11H2,1-2H3,(H,17,18)
InChIKeyNEDLNRVFBDPDPB-UHFFFAOYSA-N
XLogP1.41
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,3-Dimethyl-2-oxo-butyryl)-piperidine-2-carboxylic acid 4-(4-methoxy-phenyl)-butyl ester
CID 15380476
1-(3-Methoxy-benzyl)-piperidine-2-carboxylic acid
CID 3297083
2-acetamido-3-(4-methoxyphenyl)propanoic Acid
CID 3394278
N-Acetyl-O-benzyl-L-tyrosine
CID 71454723
Ethyl 1-(3-hydroxy-1,3-dimethylbutyl)-4-(3-methoxybenzyl)-4-piperidinecarboxylate
CID 16188307
1-(2-Methoxy-benzyl)-piperidine-2-carboxylic acid
CID 3929628
4-(4-Ethoxyphenyl)-4-oxo-2-piperidylbutanoic acid
CID 5155978
1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-carboxylic acid 4-(4-methoxy-phenyl)-butyl ester
CID 15380467
1-(2-Cyclohexyl-2-oxo-acetyl)-piperidine-2-carboxylic acid 4-(4-methoxy-phenyl)-butyl ester
CID 15380472
1-[2-(4-Benzylphenoxy)ethyl]piperidine-4-carboxylic acid
CID 17830966
(2S)-2-acetamido-3-[4-(2-phenylethoxy)phenyl]propanoic acid
CID 71460170
2-[methyl-[(2R)-1-(4-phenylmethoxyphenyl)propan-2-yl]amino]acetic acid
CID 117939787

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid?
The IUPAC name of 3-(4-methoxyphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid (CID 63270699) is 3-(4-methoxyphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid?
The canonical SMILES for 3-(4-methoxyphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid is COc1ccc(CC(C)(C(=O)O)N2CCOCC2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid?
The InChIKey is NEDLNRVFBDPDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-15(14(17)18,16-7-9-20-10-8-16)11-12-3-5-13(19-2)6-4-12/h3-6H,7-11H2,1-2H3,(H,17,18).
What are the key properties of 3-(4-methoxyphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid?
3-(4-methoxyphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid is sourced from PubChem (CID 63270699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).