3-[[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]amino]propanoic acid

C13H14N2O4 — CID 51602829

IUPAC3-[[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]amino]propanoic acid
SMILESO=C(O)CCN[C@H]1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C13H14N2O4/c16-11-8-10(14-7-6-12(17)18)13(19)15(11)9-4-2-1-3-5-9/h1-5,10,14H,6-8H2,(H,17,18)/t10-/m0/s1
InChIKeyNCXSZKSXKZAIDF-JTQLQIEISA-N
MW262.26 g/mol
LogP0.38
Rot. Bonds5

About 3-[[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]amino]propanoic acid

3-[[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]amino]propanoic acid (PubChem CID 51602829) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 3-[[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]amino]propanoic acid
PubChem CID51602829
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name3-[[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]amino]propanoic acid
SMILESO=C(O)CCN[C@H]1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C13H14N2O4/c16-11-8-10(14-7-6-12(17)18)13(19)15(11)9-4-2-1-3-5-9/h1-5,10,14H,6-8H2,(H,17,18)/t10-/m0/s1
InChIKeyNCXSZKSXKZAIDF-JTQLQIEISA-N
XLogP0.38
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminoethylamino)-1-phenylpyrrolidine-2,5-dione
CID 43637577
1-phenyl-3-(propylamino)pyrrolidine-2,5-dione;hydrochloride
CID 53440488
3-[2-(diethylamino)ethylamino]-1-phenylpyrrolidine-2,5-dione
CID 3135049
1-phenyl-3-[2-(trifluoromethylsulfanyl)ethylamino]pyrrolidine-2,5-dione
CID 106427348
(3R)-3-[2-(4-chlorophenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione
CID 708153
1-phenyl-3-(2-pyrazol-1-ylethylamino)pyrrolidine-2,5-dione
CID 61459850
(3S)-3-[(2-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 820411
(3R)-3-[(2-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 820410
(3S)-3-[2-(4-methoxyphenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione
CID 742571
3-(2-imidazol-1-ylethylamino)-1-phenylpyrrolidine-2,5-dione
CID 61325731
3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1-phenylpyrrolidine-2,5-dione
CID 106397819
1-phenyl-3-(2,3,3-trimethylbutylamino)pyrrolidine-2,5-dione
CID 83142541

Frequently Asked Questions

What is the IUPAC name of 3-[[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]amino]propanoic acid?
The IUPAC name of 3-[[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]amino]propanoic acid (CID 51602829) is 3-[[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]amino]propanoic acid.
What is the SMILES notation for 3-[[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]amino]propanoic acid?
The canonical SMILES for 3-[[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]amino]propanoic acid is O=C(O)CCN[C@H]1CC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 3-[[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]amino]propanoic acid?
The InChIKey is NCXSZKSXKZAIDF-JTQLQIEISA-N. The full InChI is InChI=1S/C13H14N2O4/c16-11-8-10(14-7-6-12(17)18)13(19)15(11)9-4-2-1-3-5-9/h1-5,10,14H,6-8H2,(H,17,18)/t10-/m0/s1.
What are the key properties of 3-[[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]amino]propanoic acid?
3-[[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]amino]propanoic acid has a molecular weight of 262.26 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]amino]propanoic acid is sourced from PubChem (CID 51602829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).