2-[(2S)-4-[2-(2-phenylethyl)benzoyl]morpholin-2-yl]acetic acid

C21H23NO4 — CID 124702643

IUPAC2-[(2S)-4-[2-(2-phenylethyl)benzoyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@H]1CN(C(=O)c2ccccc2CCc2ccccc2)CCO1
InChIInChI=1S/C21H23NO4/c23-20(24)14-18-15-22(12-13-26-18)21(25)19-9-5-4-8-17(19)11-10-16-6-2-1-3-7-16/h1-9,18H,10-15H2,(H,23,24)/t18-/m0/s1
InChIKeyIZUCLAAKKWBBRH-SFHVURJKSA-N
MW353.42 g/mol
LogP2.79
Rot. Bonds6

About 2-[(2S)-4-[2-(2-phenylethyl)benzoyl]morpholin-2-yl]acetic acid

2-[(2S)-4-[2-(2-phenylethyl)benzoyl]morpholin-2-yl]acetic acid (PubChem CID 124702643) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-[(2S)-4-[2-(2-phenylethyl)benzoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-4-[2-(2-phenylethyl)benzoyl]morpholin-2-yl]acetic acid
PubChem CID124702643
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name2-[(2S)-4-[2-(2-phenylethyl)benzoyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@H]1CN(C(=O)c2ccccc2CCc2ccccc2)CCO1
InChIInChI=1S/C21H23NO4/c23-20(24)14-18-15-22(12-13-26-18)21(25)19-9-5-4-8-17(19)11-10-16-6-2-1-3-7-16/h1-9,18H,10-15H2,(H,23,24)/t18-/m0/s1
InChIKeyIZUCLAAKKWBBRH-SFHVURJKSA-N
XLogP2.79
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-[2-(2-phenylethyl)benzoyl]morpholine-2-carboxylic acid
CID 125153634
2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid
CID 66422337
2-[4-[1-(2-phenylethyl)pyrrole-2-carbonyl]morpholin-2-yl]acetic acid
CID 119247831
2-[4-(2-nitrobenzoyl)morpholin-2-yl]acetic acid
CID 66421162
2-[4-(2-ethylsulfonylbenzoyl)morpholin-2-yl]acetic acid
CID 119248776
2-[4-(3-bromo-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66434767
1-[2-(2-phenylethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119355127
2-[(2R)-4-(2-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid
CID 124704985
2-[4-(2-prop-2-enoxybenzoyl)morpholin-2-yl]acetic acid
CID 119248384
2-[(2S)-4-(1-benzyl-5-methylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 124697770
2-[4-(2-phenylethyl)morpholin-2-yl]acetic acid
CID 66436018
2-[4-(2-propylsulfonylbenzoyl)morpholin-2-yl]acetic acid
CID 119248779

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[2-(2-phenylethyl)benzoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2S)-4-[2-(2-phenylethyl)benzoyl]morpholin-2-yl]acetic acid (CID 124702643) is 2-[(2S)-4-[2-(2-phenylethyl)benzoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-4-[2-(2-phenylethyl)benzoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2S)-4-[2-(2-phenylethyl)benzoyl]morpholin-2-yl]acetic acid is O=C(O)C[C@H]1CN(C(=O)c2ccccc2CCc2ccccc2)CCO1.
What is the InChIKey of 2-[(2S)-4-[2-(2-phenylethyl)benzoyl]morpholin-2-yl]acetic acid?
The InChIKey is IZUCLAAKKWBBRH-SFHVURJKSA-N. The full InChI is InChI=1S/C21H23NO4/c23-20(24)14-18-15-22(12-13-26-18)21(25)19-9-5-4-8-17(19)11-10-16-6-2-1-3-7-16/h1-9,18H,10-15H2,(H,23,24)/t18-/m0/s1.
What are the key properties of 2-[(2S)-4-[2-(2-phenylethyl)benzoyl]morpholin-2-yl]acetic acid?
2-[(2S)-4-[2-(2-phenylethyl)benzoyl]morpholin-2-yl]acetic acid has a molecular weight of 353.42 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[2-(2-phenylethyl)benzoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 124702643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).