2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid

C15H19NO4 — CID 66422337

IUPAC2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)CCc2ccccc2)CCO1
InChIInChI=1S/C15H19NO4/c17-14(7-6-12-4-2-1-3-5-12)16-8-9-20-13(11-16)10-15(18)19/h1-5,13H,6-11H2,(H,18,19)
InChIKeyNEXVBKFGKWMYQT-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.32
Rot. Bonds5

About 2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid

2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid (PubChem CID 66422337) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid
PubChem CID66422337
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)CCc2ccccc2)CCO1
InChIInChI=1S/C15H19NO4/c17-14(7-6-12-4-2-1-3-5-12)16-8-9-20-13(11-16)10-15(18)19/h1-5,13H,6-11H2,(H,18,19)
InChIKeyNEXVBKFGKWMYQT-UHFFFAOYSA-N
XLogP1.32
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-4-[2-(2-phenylethyl)morpholin-4-yl]butanoic acid
CID 120550207
2-[4-(3-thiophen-2-ylpropanoyl)morpholin-2-yl]acetic acid
CID 66421747
2-[4-[3-(3,5-dimethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 119248324
2-[(2R)-4-[3-(1-benzofuran-2-yl)propanoyl]morpholin-2-yl]acetic acid
CID 125150468
1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one
CID 42241699
2-[(2S)-4-[3-(2-ethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 125147522
1-[2-(chloromethyl)morpholin-4-yl]-4-phenylbutan-1-one
CID 81210940
4-[3-(2-ethylmorpholin-4-yl)-3-oxopropyl]benzoic acid
CID 119182801
2-[(2S)-4-[2-(2-phenylethyl)benzoyl]morpholin-2-yl]acetic acid
CID 124702643
2-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]morpholin-2-yl]acetic acid
CID 119247740
2-[4-(2-phenylethyl)morpholin-2-yl]acetic acid
CID 66436018
2-[4-[3-(2,4-dimethylphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 119248342

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid (CID 66422337) is 2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)CCc2ccccc2)CCO1.
What is the InChIKey of 2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid?
The InChIKey is NEXVBKFGKWMYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c17-14(7-6-12-4-2-1-3-5-12)16-8-9-20-13(11-16)10-15(18)19/h1-5,13H,6-11H2,(H,18,19).
What are the key properties of 2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid?
2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid has a molecular weight of 277.32 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66422337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).