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

C17H25N5O6 — CID 134285762

IUPAC2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-5-[2-(ethenylamino)hydrazinyl]-5-oxopentanoic acid
SMILESC=CNNNC(=O)CCC(NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)O
InChIInChI=1S/C17H25N5O6/c1-2-18-21-20-14(24)8-7-12(17(27)28)19-13(23)6-4-3-5-11-22-15(25)9-10-16(22)26/h2,9-10,12,18,21H,1,3-8,11H2,(H,19,23)(H,20,24)(H,27,28)
InChIKeyZLJPEPOGMMSAGW-UHFFFAOYSA-N
MW395.42 g/mol
LogP-0.91
Rot. Bonds14

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

2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-5-[2-(ethenylamino)hydrazinyl]-5-oxopentanoic acid (PubChem CID 134285762) has the molecular formula C17H25N5O6 and a molecular weight of 395.42 g/mol. Its IUPAC name is 2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-5-[2-(ethenylamino)hydrazinyl]-5-oxopentanoic acid.

Molecular Properties

Compound Name2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-5-[2-(ethenylamino)hydrazinyl]-5-oxopentanoic acid
PubChem CID134285762
Molecular FormulaC17H25N5O6
Molecular Weight395.42 g/mol
Exact Mass395.18
IUPAC Name2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-5-[2-(ethenylamino)hydrazinyl]-5-oxopentanoic acid
SMILESC=CNNNC(=O)CCC(NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)O
InChIInChI=1S/C17H25N5O6/c1-2-18-21-20-14(24)8-7-12(17(27)28)19-13(23)6-4-3-5-11-22-15(25)9-10-16(22)26/h2,9-10,12,18,21H,1,3-8,11H2,(H,19,23)(H,20,24)(H,27,28)
InChIKeyZLJPEPOGMMSAGW-UHFFFAOYSA-N
XLogP-0.91
TPSA156.94 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 5-0.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-5-[2-(ethenylamino)hydrazinyl]-5-oxopentanoic acid?
The IUPAC name of 2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-5-[2-(ethenylamino)hydrazinyl]-5-oxopentanoic acid (CID 134285762) is 2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-5-[2-(ethenylamino)hydrazinyl]-5-oxopentanoic acid.
What is the SMILES notation for 2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-5-[2-(ethenylamino)hydrazinyl]-5-oxopentanoic acid?
The canonical SMILES for 2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-5-[2-(ethenylamino)hydrazinyl]-5-oxopentanoic acid is C=CNNNC(=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-[2-(ethenylamino)hydrazinyl]-5-oxopentanoic acid?
The InChIKey is ZLJPEPOGMMSAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O6/c1-2-18-21-20-14(24)8-7-12(17(27)28)19-13(23)6-4-3-5-11-22-15(25)9-10-16(22)26/h2,9-10,12,18,21H,1,3-8,11H2,(H,19,23)(H,20,24)(H,27,28).
What are the key properties of 2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-5-[2-(ethenylamino)hydrazinyl]-5-oxopentanoic acid?
2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-5-[2-(ethenylamino)hydrazinyl]-5-oxopentanoic acid has a molecular weight of 395.42 g/mol, XLogP of -0.91, 14 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-5-[2-(ethenylamino)hydrazinyl]-5-oxopentanoic acid is sourced from PubChem (CID 134285762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).