4-[(2S)-2-amino-4-phenylbutanoyl]morpholine-2-carboxylic acid

C15H20N2O4 — CID 104984264

IUPAC4-[(2S)-2-amino-4-phenylbutanoyl]morpholine-2-carboxylic acid
SMILESN[C@@H](CCc1ccccc1)C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C15H20N2O4/c16-12(7-6-11-4-2-1-3-5-11)14(18)17-8-9-21-13(10-17)15(19)20/h1-5,12-13H,6-10,16H2,(H,19,20)/t12-,13?/m0/s1
InChIKeyVTJYBZGHCPDLHA-UEWDXFNNSA-N
MW292.33 g/mol
LogP0.26
Rot. Bonds5

About 4-[(2S)-2-amino-4-phenylbutanoyl]morpholine-2-carboxylic acid

4-[(2S)-2-amino-4-phenylbutanoyl]morpholine-2-carboxylic acid (PubChem CID 104984264) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-[(2S)-2-amino-4-phenylbutanoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2S)-2-amino-4-phenylbutanoyl]morpholine-2-carboxylic acid
PubChem CID104984264
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name4-[(2S)-2-amino-4-phenylbutanoyl]morpholine-2-carboxylic acid
SMILESN[C@@H](CCc1ccccc1)C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C15H20N2O4/c16-12(7-6-11-4-2-1-3-5-11)14(18)17-8-9-21-13(10-17)15(19)20/h1-5,12-13H,6-10,16H2,(H,19,20)/t12-,13?/m0/s1
InChIKeyVTJYBZGHCPDLHA-UEWDXFNNSA-N
XLogP0.26
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(2S)-2-amino-4-phenylbutanoyl]morpholine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2S)-2-aminopentanoyl]morpholine-2-carboxylic acid
CID 107569483
(2S)-4-[2-(2-phenylethyl)benzoyl]morpholine-2-carboxylic acid
CID 125153634
1-[(2S)-2-amino-4-phenylbutanoyl]piperidine-4-carboxylic acid
CID 104984119
2-amino-1-(3-hydroxypyrrolidin-1-yl)-4-phenylbutan-1-one
CID 114928192
(2S)-2-amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 104984754
(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-phenylbutan-1-one
CID 104983964
4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]morpholine-2-carboxylic acid
CID 119239884
2-amino-4-phenyl-1-thiomorpholin-4-ylbutan-1-one
CID 114925089
4-[3-(2-aminophenyl)propanoyl]morpholine-2-carboxylic acid
CID 107273042
(2S)-2-amino-1-(3-ethylpiperidin-1-yl)-4-phenylbutan-1-one
CID 104983954
(2S)-4-[(2S)-3-(2-fluorophenyl)-2-methylpropanoyl]morpholine-2-carboxylic acid
CID 124688847
(2R)-4-[2-(2-phenylethyl)-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid
CID 129415652

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-amino-4-phenylbutanoyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[(2S)-2-amino-4-phenylbutanoyl]morpholine-2-carboxylic acid (CID 104984264) is 4-[(2S)-2-amino-4-phenylbutanoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[(2S)-2-amino-4-phenylbutanoyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[(2S)-2-amino-4-phenylbutanoyl]morpholine-2-carboxylic acid is N[C@@H](CCc1ccccc1)C(=O)N1CCOC(C(=O)O)C1.
What is the InChIKey of 4-[(2S)-2-amino-4-phenylbutanoyl]morpholine-2-carboxylic acid?
The InChIKey is VTJYBZGHCPDLHA-UEWDXFNNSA-N. The full InChI is InChI=1S/C15H20N2O4/c16-12(7-6-11-4-2-1-3-5-11)14(18)17-8-9-21-13(10-17)15(19)20/h1-5,12-13H,6-10,16H2,(H,19,20)/t12-,13?/m0/s1.
What are the key properties of 4-[(2S)-2-amino-4-phenylbutanoyl]morpholine-2-carboxylic acid?
4-[(2S)-2-amino-4-phenylbutanoyl]morpholine-2-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-amino-4-phenylbutanoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 104984264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).