3-[4-(2-ethylphenyl)morpholin-3-yl]propanoic acid

C15H21NO3 — CID 117009412

IUPAC3-[4-(2-ethylphenyl)morpholin-3-yl]propanoic acid
SMILESCCc1ccccc1N1CCOCC1CCC(=O)O
InChIInChI=1S/C15H21NO3/c1-2-12-5-3-4-6-14(12)16-9-10-19-11-13(16)7-8-15(17)18/h3-6,13H,2,7-11H2,1H3,(H,17,18)
InChIKeyVNNLIHQSYQHACK-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.32
Rot. Bonds5

About 3-[4-(2-ethylphenyl)morpholin-3-yl]propanoic acid

3-[4-(2-ethylphenyl)morpholin-3-yl]propanoic acid (PubChem CID 117009412) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[4-(2-ethylphenyl)morpholin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(2-ethylphenyl)morpholin-3-yl]propanoic acid
PubChem CID117009412
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-[4-(2-ethylphenyl)morpholin-3-yl]propanoic acid
SMILESCCc1ccccc1N1CCOCC1CCC(=O)O
InChIInChI=1S/C15H21NO3/c1-2-12-5-3-4-6-14(12)16-9-10-19-11-13(16)7-8-15(17)18/h3-6,13H,2,7-11H2,1H3,(H,17,18)
InChIKeyVNNLIHQSYQHACK-UHFFFAOYSA-N
XLogP2.32
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-ethylphenyl)morpholin-3-yl]ethanol
CID 117009287
3-[4-(4-methylphenyl)morpholin-3-yl]propanoic acid
CID 117009405
4-[2-(bromomethyl)phenyl]-3-ethylmorpholine
CID 107080607
3-[4-(3-fluorophenyl)morpholin-3-yl]propanoic acid
CID 117009424
2-[4-(2,6-diethylphenyl)morpholin-3-yl]ethanol
CID 117009293
3-[4-(1-phenylethyl)morpholin-3-yl]propanoic acid
CID 117009393
2-[4-(2-propan-2-ylphenyl)morpholin-3-yl]acetic acid
CID 117009349
1-[2-[(3R)-3-ethylmorpholin-4-yl]phenyl]ethanone
CID 5325728
2-[4-(2-ethyl-6-methylphenyl)morpholin-3-yl]acetic acid
CID 117009348
3-[4-[(4-methylphenyl)methyl]morpholin-3-yl]propanoic acid
CID 117009392
3-(4-tert-butylmorpholin-3-yl)propanoic acid
CID 117009398
3-(4-butylmorpholin-3-yl)propanoic acid
CID 117009382

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-ethylphenyl)morpholin-3-yl]propanoic acid?
The IUPAC name of 3-[4-(2-ethylphenyl)morpholin-3-yl]propanoic acid (CID 117009412) is 3-[4-(2-ethylphenyl)morpholin-3-yl]propanoic acid.
What is the SMILES notation for 3-[4-(2-ethylphenyl)morpholin-3-yl]propanoic acid?
The canonical SMILES for 3-[4-(2-ethylphenyl)morpholin-3-yl]propanoic acid is CCc1ccccc1N1CCOCC1CCC(=O)O.
What is the InChIKey of 3-[4-(2-ethylphenyl)morpholin-3-yl]propanoic acid?
The InChIKey is VNNLIHQSYQHACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-12-5-3-4-6-14(12)16-9-10-19-11-13(16)7-8-15(17)18/h3-6,13H,2,7-11H2,1H3,(H,17,18).
What are the key properties of 3-[4-(2-ethylphenyl)morpholin-3-yl]propanoic acid?
3-[4-(2-ethylphenyl)morpholin-3-yl]propanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-ethylphenyl)morpholin-3-yl]propanoic acid is sourced from PubChem (CID 117009412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).