(2R)-5-amino-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-5-oxopentanoic acid

C11H13N3O6 — CID 146216529

IUPAC(2R)-5-amino-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@@H](NC(=O)CN1C(=O)C=CC1=O)C(=O)O
InChIInChI=1S/C11H13N3O6/c12-7(15)2-1-6(11(19)20)13-8(16)5-14-9(17)3-4-10(14)18/h3-4,6H,1-2,5H2,(H2,12,15)(H,13,16)(H,19,20)/t6-/m1/s1
InChIKeyKIMKOEAYIDQGBV-ZCFIWIBFSA-N
MW283.24 g/mol
LogP-2.25
Rot. Bonds7

About (2R)-5-amino-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-5-oxopentanoic acid

(2R)-5-amino-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-5-oxopentanoic acid (PubChem CID 146216529) has the molecular formula C11H13N3O6 and a molecular weight of 283.24 g/mol. Its IUPAC name is (2R)-5-amino-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-5-oxopentanoic acid
PubChem CID146216529
Molecular FormulaC11H13N3O6
Molecular Weight283.24 g/mol
Exact Mass283.08
IUPAC Name(2R)-5-amino-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@@H](NC(=O)CN1C(=O)C=CC1=O)C(=O)O
InChIInChI=1S/C11H13N3O6/c12-7(15)2-1-6(11(19)20)13-8(16)5-14-9(17)3-4-10(14)18/h3-4,6H,1-2,5H2,(H2,12,15)(H,13,16)(H,19,20)/t6-/m1/s1
InChIKeyKIMKOEAYIDQGBV-ZCFIWIBFSA-N
XLogP-2.25
TPSA146.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 5-2.25
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

(2S)-5-amino-5-oxo-2-(prop-2-enoylamino)pentanoic acid
CID 28170985
2-Amino-5-[[1-(carboxymethylamino)-3-[2-(2,5-dioxopyrrol-1-yl)ethylsulfanyl]propan-2-yl]amino]-5-oxopentanoic acid
CID 70686865
Glutathione maleimide
CID 126255
N-Ethylmaleimide-gamma-glutamyl-cysteinyl-glycine
CID 6453926
Gamma-glutamyl-dehydroalanyl-glycine
CID 129844003
DOTA-GA-maleimide
CID 138376278
2-[4,7-Bis(carboxymethyl)-1,4,7-triazonan-1-yl]-5-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]-5-oxopentanoic acid
CID 89884075
(2R)-5-amino-2-(2,5-dioxopyrrol-1-yl)pentanoic acid;2,2,2-trifluoroacetic acid
CID 176307711
Sorboylglutamin
CID 13871740
3-Maleimidopropionyl-l-alanyl-d-isoglutamine
CID 129700786
Glutamyldehydroalanylglycine
CID 129849833
2-(l-gamma-Glutamylamino)ethyl acrylamide
CID 138404197

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-5-oxopentanoic acid (CID 146216529) is (2R)-5-amino-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-5-oxopentanoic acid is NC(=O)CC[C@@H](NC(=O)CN1C(=O)C=CC1=O)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-5-oxopentanoic acid?
The InChIKey is KIMKOEAYIDQGBV-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H13N3O6/c12-7(15)2-1-6(11(19)20)13-8(16)5-14-9(17)3-4-10(14)18/h3-4,6H,1-2,5H2,(H2,12,15)(H,13,16)(H,19,20)/t6-/m1/s1.
What are the key properties of (2R)-5-amino-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-5-oxopentanoic acid?
(2R)-5-amino-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-5-oxopentanoic acid has a molecular weight of 283.24 g/mol, XLogP of -2.25, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 146216529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).