(2S)-4-[2-(2-phenylethyl)benzoyl]morpholine-2-carboxylic acid

C20H21NO4 — CID 125153634

IUPAC(2S)-4-[2-(2-phenylethyl)benzoyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(C(=O)c2ccccc2CCc2ccccc2)CCO1
InChIInChI=1S/C20H21NO4/c22-19(21-12-13-25-18(14-21)20(23)24)17-9-5-4-8-16(17)11-10-15-6-2-1-3-7-15/h1-9,18H,10-14H2,(H,23,24)/t18-/m0/s1
InChIKeyVRNOKLBSJRUPAW-SFHVURJKSA-N
MW339.39 g/mol
LogP2.40
Rot. Bonds5

About (2S)-4-[2-(2-phenylethyl)benzoyl]morpholine-2-carboxylic acid

(2S)-4-[2-(2-phenylethyl)benzoyl]morpholine-2-carboxylic acid (PubChem CID 125153634) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is (2S)-4-[2-(2-phenylethyl)benzoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-[2-(2-phenylethyl)benzoyl]morpholine-2-carboxylic acid
PubChem CID125153634
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name(2S)-4-[2-(2-phenylethyl)benzoyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(C(=O)c2ccccc2CCc2ccccc2)CCO1
InChIInChI=1S/C20H21NO4/c22-19(21-12-13-25-18(14-21)20(23)24)17-9-5-4-8-16(17)11-10-15-6-2-1-3-7-15/h1-9,18H,10-14H2,(H,23,24)/t18-/m0/s1
InChIKeyVRNOKLBSJRUPAW-SFHVURJKSA-N
XLogP2.40
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S)-4-[2-(2-phenylethyl)benzoyl]morpholin-2-yl]acetic acid
CID 124702643
1-[2-(2-phenylethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119355127
4-[(2S)-2-amino-4-phenylbutanoyl]morpholine-2-carboxylic acid
CID 104984264
(2R)-4-[2-(2-phenylethyl)-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid
CID 129415652
1-[4-[2-(2-phenylethyl)benzoyl]piperazin-1-yl]ethanone
CID 43007461
(2R)-4-[2-(2-phenoxyethoxy)benzoyl]morpholine-2-carboxylic acid
CID 125154179
(2R)-4-[2-(thiophene-2-carbonyl)benzoyl]morpholine-2-carboxylic acid
CID 125152797
4-[3-(2-aminophenyl)propanoyl]morpholine-2-carboxylic acid
CID 107273042
4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]morpholine-2-carboxylic acid
CID 119239884
4-[2-(2-ethoxyethoxy)benzoyl]morpholine-2-carboxylic acid
CID 119238984
4-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]morpholine-2-carboxylic acid
CID 126786953
4-(1-phenyl-5-propylpyrazole-4-carbonyl)morpholine-2-carboxylic acid
CID 120526124

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[2-(2-phenylethyl)benzoyl]morpholine-2-carboxylic acid?
The IUPAC name of (2S)-4-[2-(2-phenylethyl)benzoyl]morpholine-2-carboxylic acid (CID 125153634) is (2S)-4-[2-(2-phenylethyl)benzoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-[2-(2-phenylethyl)benzoyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2S)-4-[2-(2-phenylethyl)benzoyl]morpholine-2-carboxylic acid is O=C(O)[C@@H]1CN(C(=O)c2ccccc2CCc2ccccc2)CCO1.
What is the InChIKey of (2S)-4-[2-(2-phenylethyl)benzoyl]morpholine-2-carboxylic acid?
The InChIKey is VRNOKLBSJRUPAW-SFHVURJKSA-N. The full InChI is InChI=1S/C20H21NO4/c22-19(21-12-13-25-18(14-21)20(23)24)17-9-5-4-8-16(17)11-10-15-6-2-1-3-7-15/h1-9,18H,10-14H2,(H,23,24)/t18-/m0/s1.
What are the key properties of (2S)-4-[2-(2-phenylethyl)benzoyl]morpholine-2-carboxylic acid?
(2S)-4-[2-(2-phenylethyl)benzoyl]morpholine-2-carboxylic acid has a molecular weight of 339.39 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[2-(2-phenylethyl)benzoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 125153634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).