2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-5-hydrazinyl-5-oxopentanoic acid

C15H22N4O6 — CID 70885029

IUPAC2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-5-hydrazinyl-5-oxopentanoic acid
SMILESNNC(=O)CCC(NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)O
InChIInChI=1S/C15H22N4O6/c16-18-12(21)6-5-10(15(24)25)17-11(20)4-2-1-3-9-19-13(22)7-8-14(19)23/h7-8,10H,1-6,9,16H2,(H,17,20)(H,18,21)(H,24,25)
InChIKeyWISJHCUASFYGJF-UHFFFAOYSA-N
MW354.36 g/mol
LogP-1.19
Rot. Bonds11

About 2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-5-hydrazinyl-5-oxopentanoic acid

2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-5-hydrazinyl-5-oxopentanoic acid (PubChem CID 70885029) has the molecular formula C15H22N4O6 and a molecular weight of 354.36 g/mol. Its IUPAC name is 2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-5-hydrazinyl-5-oxopentanoic acid.

Molecular Properties

Compound Name2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-5-hydrazinyl-5-oxopentanoic acid
PubChem CID70885029
Molecular FormulaC15H22N4O6
Molecular Weight354.36 g/mol
Exact Mass354.15
IUPAC Name2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-5-hydrazinyl-5-oxopentanoic acid
SMILESNNC(=O)CCC(NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)O
InChIInChI=1S/C15H22N4O6/c16-18-12(21)6-5-10(15(24)25)17-11(20)4-2-1-3-9-19-13(22)7-8-14(19)23/h7-8,10H,1-6,9,16H2,(H,17,20)(H,18,21)(H,24,25)
InChIKeyWISJHCUASFYGJF-UHFFFAOYSA-N
XLogP-1.19
TPSA158.90 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 5-1.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-amino-5-[[3-[2-[3-[[(2S)-2-amino-4-carboxybutanoyl]amino]propanoyl]-2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl]hydrazinyl]-3-oxopropyl]amino]-5-oxopentanoic acid
CID 54572007
2-[6-(2,5-Dioxopyrrol-1-yl)hexanoylamino]-5-[2-(ethenylamino)hydrazinyl]-5-oxopentanoic acid
CID 134285762
2-[6-(2,5-Dioxopyrrol-1-yl)hexanoylamino]pentanedioic acid
CID 155040596
(2S)-2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 169607876
5-[[1-(Carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-2-[(2,5-dioxopyrrol-1-yl)amino]-5-oxopentanoic acid
CID 175089835
(2S)-5-amino-2-[(2,5-dioxopyrrol-1-yl)amino]-5-oxopentanoic acid
CID 175430685
5-amino-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-5-oxopentanoic acid
CID 43358644
(2S)-5-amino-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-5-oxopentanoic acid
CID 61144341
(2R)-5-amino-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-5-oxopentanoic acid
CID 107830015
5-(2-Aminohydrazinyl)-2-(prop-2-enoylamino)pentanoic acid
CID 162519150

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-5-hydrazinyl-5-oxopentanoic acid?
The IUPAC name of 2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-5-hydrazinyl-5-oxopentanoic acid (CID 70885029) is 2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-5-hydrazinyl-5-oxopentanoic acid.
What is the SMILES notation for 2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-5-hydrazinyl-5-oxopentanoic acid?
The canonical SMILES for 2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-5-hydrazinyl-5-oxopentanoic acid is NNC(=O)CCC(NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)O.
What is the InChIKey of 2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-5-hydrazinyl-5-oxopentanoic acid?
The InChIKey is WISJHCUASFYGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O6/c16-18-12(21)6-5-10(15(24)25)17-11(20)4-2-1-3-9-19-13(22)7-8-14(19)23/h7-8,10H,1-6,9,16H2,(H,17,20)(H,18,21)(H,24,25).
What are the key properties of 2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-5-hydrazinyl-5-oxopentanoic acid?
2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-5-hydrazinyl-5-oxopentanoic acid has a molecular weight of 354.36 g/mol, XLogP of -1.19, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-5-hydrazinyl-5-oxopentanoic acid is sourced from PubChem (CID 70885029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).