3-[4-(1-phenylethyl)morpholin-3-yl]propanoic acid

C15H21NO3 — CID 117009393

IUPAC3-[4-(1-phenylethyl)morpholin-3-yl]propanoic acid
SMILESCC(c1ccccc1)N1CCOCC1CCC(=O)O
InChIInChI=1S/C15H21NO3/c1-12(13-5-3-2-4-6-13)16-9-10-19-11-14(16)7-8-15(17)18/h2-6,12,14H,7-11H2,1H3,(H,17,18)
InChIKeyKAPONHVYJPBDJI-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.31
Rot. Bonds5

About 3-[4-(1-phenylethyl)morpholin-3-yl]propanoic acid

3-[4-(1-phenylethyl)morpholin-3-yl]propanoic acid (PubChem CID 117009393) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[4-(1-phenylethyl)morpholin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(1-phenylethyl)morpholin-3-yl]propanoic acid
PubChem CID117009393
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-[4-(1-phenylethyl)morpholin-3-yl]propanoic acid
SMILESCC(c1ccccc1)N1CCOCC1CCC(=O)O
InChIInChI=1S/C15H21NO3/c1-12(13-5-3-2-4-6-13)16-9-10-19-11-14(16)7-8-15(17)18/h2-6,12,14H,7-11H2,1H3,(H,17,18)
InChIKeyKAPONHVYJPBDJI-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2-ethylphenyl)morpholin-3-yl]propanoic acid
CID 117009412
3-[4-(4-methylphenyl)morpholin-3-yl]propanoic acid
CID 117009405
2-[3-(hydroxymethyl)morpholin-4-yl]-2-phenylacetic acid
CID 83825429
3-[1-(1-pyridin-4-ylethyl)piperidin-2-yl]propanoic acid
CID 65062430
3-[4-[(4-methylphenyl)methyl]morpholin-3-yl]propanoic acid
CID 117009392
1-(3-ethylmorpholin-4-yl)-1-phenylpropan-2-amine
CID 55017138
3-(4-tert-butylmorpholin-3-yl)propanoic acid
CID 117009398
2-(3-methylmorpholin-4-yl)-2-phenylacetic acid
CID 43542338
(2R)-1-[(1R)-1-phenylethyl]azetidine-2-carboxylic acid
CID 21308199
1-[1-(1-phenylethyl)pyrrolidin-2-yl]propan-2-one
CID 79546242
3-[4-(3-fluorophenyl)morpholin-3-yl]propanoic acid
CID 117009424
2-[(3R)-4-(3,3-diphenylpropanoyl)morpholin-3-yl]acetic acid
CID 129469743

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-phenylethyl)morpholin-3-yl]propanoic acid?
The IUPAC name of 3-[4-(1-phenylethyl)morpholin-3-yl]propanoic acid (CID 117009393) is 3-[4-(1-phenylethyl)morpholin-3-yl]propanoic acid.
What is the SMILES notation for 3-[4-(1-phenylethyl)morpholin-3-yl]propanoic acid?
The canonical SMILES for 3-[4-(1-phenylethyl)morpholin-3-yl]propanoic acid is CC(c1ccccc1)N1CCOCC1CCC(=O)O.
What is the InChIKey of 3-[4-(1-phenylethyl)morpholin-3-yl]propanoic acid?
The InChIKey is KAPONHVYJPBDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-12(13-5-3-2-4-6-13)16-9-10-19-11-14(16)7-8-15(17)18/h2-6,12,14H,7-11H2,1H3,(H,17,18).
What are the key properties of 3-[4-(1-phenylethyl)morpholin-3-yl]propanoic acid?
3-[4-(1-phenylethyl)morpholin-3-yl]propanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-phenylethyl)morpholin-3-yl]propanoic acid is sourced from PubChem (CID 117009393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).