(2R)-4-amino-2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-oxobutanoic acid

C11H15N3O6 — CID 107820981

IUPAC(2R)-4-amino-2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-oxobutanoic acid
SMILESNC(=O)C[C@@H](NC(=O)CCN1C(=O)CCC1=O)C(=O)O
InChIInChI=1S/C11H15N3O6/c12-7(15)5-6(11(19)20)13-8(16)3-4-14-9(17)1-2-10(14)18/h6H,1-5H2,(H2,12,15)(H,13,16)(H,19,20)/t6-/m1/s1
InChIKeyZRXWAKCLUAXEET-ZCFIWIBFSA-N
MW285.26 g/mol
LogP-2.03
Rot. Bonds7

About (2R)-4-amino-2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-oxobutanoic acid

(2R)-4-amino-2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-oxobutanoic acid (PubChem CID 107820981) has the molecular formula C11H15N3O6 and a molecular weight of 285.26 g/mol. Its IUPAC name is (2R)-4-amino-2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-oxobutanoic acid
PubChem CID107820981
Molecular FormulaC11H15N3O6
Molecular Weight285.26 g/mol
Exact Mass285.10
IUPAC Name(2R)-4-amino-2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-oxobutanoic acid
SMILESNC(=O)C[C@@H](NC(=O)CCN1C(=O)CCC1=O)C(=O)O
InChIInChI=1S/C11H15N3O6/c12-7(15)5-6(11(19)20)13-8(16)3-4-14-9(17)1-2-10(14)18/h6H,1-5H2,(H2,12,15)(H,13,16)(H,19,20)/t6-/m1/s1
InChIKeyZRXWAKCLUAXEET-ZCFIWIBFSA-N
XLogP-2.03
TPSA146.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 5-2.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-methylpentanoic acid
CID 43170163
(2R)-2-[6-(2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-methylpentanoic acid
CID 118184263
(2S)-4-amino-2-[3-(4-amino-2-oxopyrimidin-1-yl)propanoylamino]-4-oxobutanoic acid
CID 101202248
4-amino-4-oxo-2-(pentanoylamino)butanoic acid
CID 43175996
4-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-3-methylbutanoic acid
CID 81063012
4-amino-2-(3-methylsulfonylpropanoylamino)-4-oxobutanoic acid
CID 43357084
4-amino-2-[3-(cyclopropylamino)propanoylamino]-4-oxobutanoic acid
CID 61158477
(2,5-dioxopyrrolidin-1-yl) 6-[[(2S)-1,4-diamino-1,4-dioxobutan-2-yl]amino]-6-oxohexanoate
CID 142732287
(2R)-4-amino-4-oxo-2-(tetradecanoylamino)butanoic acid
CID 102500690
(2R)-4-amino-2-(decanoylamino)-4-oxobutanoic acid
CID 107821192
(2R)-4-amino-2-[4-(methylamino)butanoylamino]-4-oxobutanoic acid
CID 103870299
N-(1-amino-4-methylpentan-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide;hydrochloride
CID 119588587

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-oxobutanoic acid?
The IUPAC name of (2R)-4-amino-2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-oxobutanoic acid (CID 107820981) is (2R)-4-amino-2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-oxobutanoic acid.
What is the SMILES notation for (2R)-4-amino-2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-oxobutanoic acid?
The canonical SMILES for (2R)-4-amino-2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-oxobutanoic acid is NC(=O)C[C@@H](NC(=O)CCN1C(=O)CCC1=O)C(=O)O.
What is the InChIKey of (2R)-4-amino-2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-oxobutanoic acid?
The InChIKey is ZRXWAKCLUAXEET-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H15N3O6/c12-7(15)5-6(11(19)20)13-8(16)3-4-14-9(17)1-2-10(14)18/h6H,1-5H2,(H2,12,15)(H,13,16)(H,19,20)/t6-/m1/s1.
What are the key properties of (2R)-4-amino-2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-oxobutanoic acid?
(2R)-4-amino-2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-oxobutanoic acid has a molecular weight of 285.26 g/mol, XLogP of -2.03, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-oxobutanoic acid is sourced from PubChem (CID 107820981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).