3-(2,3-dimethylphenyl)-3-morpholin-4-ylpropanoic acid

C15H21NO3 — CID 64526750

IUPAC3-(2,3-dimethylphenyl)-3-morpholin-4-ylpropanoic acid
SMILESCc1cccc(C(CC(=O)O)N2CCOCC2)c1C
InChIInChI=1S/C15H21NO3/c1-11-4-3-5-13(12(11)2)14(10-15(17)18)16-6-8-19-9-7-16/h3-5,14H,6-10H2,1-2H3,(H,17,18)
InChIKeyDPFASHMEFPVNBL-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.15
Rot. Bonds4

About 3-(2,3-dimethylphenyl)-3-morpholin-4-ylpropanoic acid

3-(2,3-dimethylphenyl)-3-morpholin-4-ylpropanoic acid (PubChem CID 64526750) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-(2,3-dimethylphenyl)-3-morpholin-4-ylpropanoic acid.

Molecular Properties

Compound Name3-(2,3-dimethylphenyl)-3-morpholin-4-ylpropanoic acid
PubChem CID64526750
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-(2,3-dimethylphenyl)-3-morpholin-4-ylpropanoic acid
SMILESCc1cccc(C(CC(=O)O)N2CCOCC2)c1C
InChIInChI=1S/C15H21NO3/c1-11-4-3-5-13(12(11)2)14(10-15(17)18)16-6-8-19-9-7-16/h3-5,14H,6-10H2,1-2H3,(H,17,18)
InChIKeyDPFASHMEFPVNBL-UHFFFAOYSA-N
XLogP2.15
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-3-morpholin-4-ylpropanoic acid
CID 64526362
3-(2,4-dimethoxyphenyl)-3-morpholin-4-ylpropanoic acid
CID 64526958
3-(3-bromo-4-methylphenyl)-3-morpholin-4-ylpropanoic acid
CID 105403444
3-(2,4-dichlorophenyl)-3-morpholin-4-ylpropanoic acid
CID 64527920
ethyl 3-(2-methoxyphenyl)-3-morpholin-4-ylpropanoate
CID 64528220
(3R)-3-(4-methoxyphenyl)-3-morpholin-4-ylpropanoic acid
CID 8022836
3-(4-methoxyphenyl)-3-morpholin-4-ylpropanoic acid
CID 64527154
(2R)-3-(2,6-dimethylphenyl)-2-morpholin-4-ylpropanoic acid
CID 100552037
3-(3-tert-butyl-1-methylpyrazol-4-yl)-3-morpholin-4-ylpropanoic acid
CID 83083998
2-(2,3-dimethylphenyl)butanedioic acid
CID 70454411
2-(2,3-dimethylphenyl)-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]acetic acid
CID 166254157
3-(3,5-dichlorophenyl)-3-morpholin-4-ylpropanoic acid
CID 64526353

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylphenyl)-3-morpholin-4-ylpropanoic acid?
The IUPAC name of 3-(2,3-dimethylphenyl)-3-morpholin-4-ylpropanoic acid (CID 64526750) is 3-(2,3-dimethylphenyl)-3-morpholin-4-ylpropanoic acid.
What is the SMILES notation for 3-(2,3-dimethylphenyl)-3-morpholin-4-ylpropanoic acid?
The canonical SMILES for 3-(2,3-dimethylphenyl)-3-morpholin-4-ylpropanoic acid is Cc1cccc(C(CC(=O)O)N2CCOCC2)c1C.
What is the InChIKey of 3-(2,3-dimethylphenyl)-3-morpholin-4-ylpropanoic acid?
The InChIKey is DPFASHMEFPVNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-4-3-5-13(12(11)2)14(10-15(17)18)16-6-8-19-9-7-16/h3-5,14H,6-10H2,1-2H3,(H,17,18).
What are the key properties of 3-(2,3-dimethylphenyl)-3-morpholin-4-ylpropanoic acid?
3-(2,3-dimethylphenyl)-3-morpholin-4-ylpropanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylphenyl)-3-morpholin-4-ylpropanoic acid is sourced from PubChem (CID 64526750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).