(5R)-3-[(2R)-2-amino-3-phenylpropanoyl]-5-(2-phenylethyl)oxolane-2,4-dione

C21H21NO4 — CID 91152871

IUPAC(5R)-3-[(2R)-2-amino-3-phenylpropanoyl]-5-(2-phenylethyl)oxolane-2,4-dione
SMILESN[C@H](Cc1ccccc1)C(=O)C1C(=O)O[C@H](CCc2ccccc2)C1=O
InChIInChI=1S/C21H21NO4/c22-16(13-15-9-5-2-6-10-15)19(23)18-20(24)17(26-21(18)25)12-11-14-7-3-1-4-8-14/h1-10,16-18H,11-13,22H2/t16-,17-,18?/m1/s1
InChIKeyPUZPFKHJUZZTLO-OWZOALSMSA-N
MW351.40 g/mol
LogP1.87
Rot. Bonds7

About (5R)-3-[(2R)-2-amino-3-phenylpropanoyl]-5-(2-phenylethyl)oxolane-2,4-dione

(5R)-3-[(2R)-2-amino-3-phenylpropanoyl]-5-(2-phenylethyl)oxolane-2,4-dione (PubChem CID 91152871) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is (5R)-3-[(2R)-2-amino-3-phenylpropanoyl]-5-(2-phenylethyl)oxolane-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(2R)-2-amino-3-phenylpropanoyl]-5-(2-phenylethyl)oxolane-2,4-dione
PubChem CID91152871
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name(5R)-3-[(2R)-2-amino-3-phenylpropanoyl]-5-(2-phenylethyl)oxolane-2,4-dione
SMILESN[C@H](Cc1ccccc1)C(=O)C1C(=O)O[C@H](CCc2ccccc2)C1=O
InChIInChI=1S/C21H21NO4/c22-16(13-15-9-5-2-6-10-15)19(23)18-20(24)17(26-21(18)25)12-11-14-7-3-1-4-8-14/h1-10,16-18H,11-13,22H2/t16-,17-,18?/m1/s1
InChIKeyPUZPFKHJUZZTLO-OWZOALSMSA-N
XLogP1.87
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2S,4S,5S) 5-Amino-2-benzyl-6-phenyl-4-hexanolide
CID 15219012
5-(1-Amino-2-phenylethyl)-3-benzyloxolan-2-one
CID 19006552
5-(1-Amino-2-phenylethyl)-3-benzyloxolan-2-one;hydrochloride
CID 20202673
Tert-butyl 3-acetyloxy-4-amino-2-oxo-5-phenylpentanoate
CID 21618214
[(4S)-4-amino-1-[(2-methylpropan-2-yl)oxy]-1,3-dioxo-5-phenylpentan-2-yl] 6-aminohexanoate
CID 22819181
tert-butyl (4S)-4-amino-2-(4-aminobutanoyloxy)-3-oxo-5-phenylpentanoate
CID 53839938
(3-Amino-2-oxo-4-phenylbutyl) 2-methyl-3-phenylpropanoate
CID 58122573
[(3R,3aS,6aR)-5-[(2S)-2-amino-3-phenylpropanoyl]-6-oxo-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-3-yl] (2S)-2-amino-3-phenylpropanoate
CID 66898096
3-(2-Amino-1-hydroxy-3-phenylpropylidene)-5-(2-phenylethyl)oxolane-2,4-dione
CID 69135224
(5R)-3-[(2R)-2-amino-1-hydroxy-3-phenylpropylidene]-5-(2-phenylethyl)oxolane-2,4-dione
CID 69135227
(5S)-3-[(2R)-2-amino-1-hydroxy-3-phenylpropylidene]-5-(2-phenylethyl)oxolane-2,4-dione
CID 69135229
(5S)-5-(2-phenylethyl)-3-(piperidine-2-carbonyl)oxolane-2,4-dione
CID 90752221

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(2R)-2-amino-3-phenylpropanoyl]-5-(2-phenylethyl)oxolane-2,4-dione?
The IUPAC name of (5R)-3-[(2R)-2-amino-3-phenylpropanoyl]-5-(2-phenylethyl)oxolane-2,4-dione (CID 91152871) is (5R)-3-[(2R)-2-amino-3-phenylpropanoyl]-5-(2-phenylethyl)oxolane-2,4-dione.
What is the SMILES notation for (5R)-3-[(2R)-2-amino-3-phenylpropanoyl]-5-(2-phenylethyl)oxolane-2,4-dione?
The canonical SMILES for (5R)-3-[(2R)-2-amino-3-phenylpropanoyl]-5-(2-phenylethyl)oxolane-2,4-dione is N[C@H](Cc1ccccc1)C(=O)C1C(=O)O[C@H](CCc2ccccc2)C1=O.
What is the InChIKey of (5R)-3-[(2R)-2-amino-3-phenylpropanoyl]-5-(2-phenylethyl)oxolane-2,4-dione?
The InChIKey is PUZPFKHJUZZTLO-OWZOALSMSA-N. The full InChI is InChI=1S/C21H21NO4/c22-16(13-15-9-5-2-6-10-15)19(23)18-20(24)17(26-21(18)25)12-11-14-7-3-1-4-8-14/h1-10,16-18H,11-13,22H2/t16-,17-,18?/m1/s1.
What are the key properties of (5R)-3-[(2R)-2-amino-3-phenylpropanoyl]-5-(2-phenylethyl)oxolane-2,4-dione?
(5R)-3-[(2R)-2-amino-3-phenylpropanoyl]-5-(2-phenylethyl)oxolane-2,4-dione has a molecular weight of 351.40 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(2R)-2-amino-3-phenylpropanoyl]-5-(2-phenylethyl)oxolane-2,4-dione is sourced from PubChem (CID 91152871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).