(2-amino-2-oxoethyl)-[(3R)-2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]azanium

C14H18N3O3+ — CID 7058200

IUPAC(2-amino-2-oxoethyl)-[(3R)-2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]azanium
SMILESNC(=O)C[NH2+][C@@H]1CC(=O)N(CCc2ccccc2)C1=O
InChIInChI=1S/C14H17N3O3/c15-12(18)9-16-11-8-13(19)17(14(11)20)7-6-10-4-2-1-3-5-10/h1-5,11,16H,6-9H2,(H2,15,18)/p+1/t11-/m1/s1
InChIKeyZPKKFOVMSUNTMS-LLVKDONJSA-O
MW276.32 g/mol
LogP-1.59
Rot. Bonds6

About (2-amino-2-oxoethyl)-[(3R)-2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]azanium

(2-amino-2-oxoethyl)-[(3R)-2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]azanium (PubChem CID 7058200) has the molecular formula C14H18N3O3+ and a molecular weight of 276.32 g/mol. Its IUPAC name is (2-amino-2-oxoethyl)-[(3R)-2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]azanium.

Molecular Properties

Compound Name(2-amino-2-oxoethyl)-[(3R)-2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]azanium
PubChem CID7058200
Molecular FormulaC14H18N3O3+
Molecular Weight276.32 g/mol
Exact Mass276.13
IUPAC Name(2-amino-2-oxoethyl)-[(3R)-2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]azanium
SMILESNC(=O)C[NH2+][C@@H]1CC(=O)N(CCc2ccccc2)C1=O
InChIInChI=1S/C14H17N3O3/c15-12(18)9-16-11-8-13(19)17(14(11)20)7-6-10-4-2-1-3-5-10/h1-5,11,16H,6-9H2,(H2,15,18)/p+1/t11-/m1/s1
InChIKeyZPKKFOVMSUNTMS-LLVKDONJSA-O
XLogP-1.59
TPSA97.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 5-1.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (2-amino-2-oxoethyl)-[(3R)-2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]azanium with MolForge

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Related Compounds

3-hydroxy-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 85230706
3-tert-butyl-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 86073076
N'-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]benzohydrazide
CID 3766254
[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]azanium
CID 7456285
1-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 2884731
(3S)-3-[(4-methylphenyl)methyl]-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 795685
(3S)-3-(4-benzylpiperidin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 1356764
(1S,2S,6S,7R)-4-(2-phenylethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 6541210
1,3-bis(2-phenylethyl)-1,3-diazinane-2,4,6-trione
CID 2187415
(6S)-4-oxo-3-(2-phenylethyl)-2-phenylimino-1,3-thiazinane-6-carboxylic acid
CID 1212213
(6S)-4-oxo-3-(2-phenylethyl)-2-(2-phenylethylimino)-1,3-thiazinane-6-carboxylic acid
CID 1256330
3-tert-butyl-1-(2-phenylethyl)pyrrolidine-2,5-dione;2-methyl-2-[(2-methylpropan-2-yl)oxymethoxy]propane
CID 158512441

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl)-[(3R)-2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]azanium?
The IUPAC name of (2-amino-2-oxoethyl)-[(3R)-2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]azanium (CID 7058200) is (2-amino-2-oxoethyl)-[(3R)-2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]azanium.
What is the SMILES notation for (2-amino-2-oxoethyl)-[(3R)-2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]azanium?
The canonical SMILES for (2-amino-2-oxoethyl)-[(3R)-2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]azanium is NC(=O)C[NH2+][C@@H]1CC(=O)N(CCc2ccccc2)C1=O.
What is the InChIKey of (2-amino-2-oxoethyl)-[(3R)-2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]azanium?
The InChIKey is ZPKKFOVMSUNTMS-LLVKDONJSA-O. The full InChI is InChI=1S/C14H17N3O3/c15-12(18)9-16-11-8-13(19)17(14(11)20)7-6-10-4-2-1-3-5-10/h1-5,11,16H,6-9H2,(H2,15,18)/p+1/t11-/m1/s1.
What are the key properties of (2-amino-2-oxoethyl)-[(3R)-2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]azanium?
(2-amino-2-oxoethyl)-[(3R)-2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]azanium has a molecular weight of 276.32 g/mol, XLogP of -1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl)-[(3R)-2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]azanium is sourced from PubChem (CID 7058200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).