5-(6-azidohexylamino)-5-oxopentanoic acid

C11H20N4O3 — CID 58992347

IUPAC5-(6-azidohexylamino)-5-oxopentanoic acid
SMILES[N-]=[N+]=NCCCCCCNC(=O)CCCC(=O)O
InChIInChI=1S/C11H20N4O3/c12-15-14-9-4-2-1-3-8-13-10(16)6-5-7-11(17)18/h1-9H2,(H,13,16)(H,17,18)
InChIKeyJVTLSOGOPZDFHQ-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.23
Rot. Bonds11

About 5-(6-azidohexylamino)-5-oxopentanoic acid

5-(6-azidohexylamino)-5-oxopentanoic acid (PubChem CID 58992347) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 5-(6-azidohexylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(6-azidohexylamino)-5-oxopentanoic acid
PubChem CID58992347
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Name5-(6-azidohexylamino)-5-oxopentanoic acid
SMILES[N-]=[N+]=NCCCCCCNC(=O)CCCC(=O)O
InChIInChI=1S/C11H20N4O3/c12-15-14-9-4-2-1-3-8-13-10(16)6-5-7-11(17)18/h1-9H2,(H,13,16)(H,17,18)
InChIKeyJVTLSOGOPZDFHQ-UHFFFAOYSA-N
XLogP2.23
TPSA115.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-(4-azidobutyl)heptanamide
CID 106386394
N-(4-azidobutyl)hexanamide
CID 106386708
N-(3-aminopropyl)-6-azidohexanamide
CID 151488540
12-(4-carboxybutanoylamino)dodecanoic acid
CID 141106762
9-azidononanoic acid
CID 15230549
5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid
CID 154016852
12-[[14-(11-carboxyundecylamino)-14-oxotetradecanoyl]amino]dodecanoic acid
CID 139798562
9-[6-(8-carboxyoctanoylamino)hexylamino]-9-oxononanoic acid
CID 139798563
N-(4-azidobutyl)-4-phenylbutanamide
CID 114182194
azane;6-[6-(5-carboxypentanoylamino)hexylamino]-6-oxohexanoic acid
CID 170853910
N-(4-azidobutyl)pent-4-ynamide
CID 106386752
N-(4-azidobutyl)-4-ethoxybutanamide
CID 106386746

Frequently Asked Questions

What is the IUPAC name of 5-(6-azidohexylamino)-5-oxopentanoic acid?
The IUPAC name of 5-(6-azidohexylamino)-5-oxopentanoic acid (CID 58992347) is 5-(6-azidohexylamino)-5-oxopentanoic acid.
What is the SMILES notation for 5-(6-azidohexylamino)-5-oxopentanoic acid?
The canonical SMILES for 5-(6-azidohexylamino)-5-oxopentanoic acid is [N-]=[N+]=NCCCCCCNC(=O)CCCC(=O)O.
What is the InChIKey of 5-(6-azidohexylamino)-5-oxopentanoic acid?
The InChIKey is JVTLSOGOPZDFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c12-15-14-9-4-2-1-3-8-13-10(16)6-5-7-11(17)18/h1-9H2,(H,13,16)(H,17,18).
What are the key properties of 5-(6-azidohexylamino)-5-oxopentanoic acid?
5-(6-azidohexylamino)-5-oxopentanoic acid has a molecular weight of 256.31 g/mol, XLogP of 2.23, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-azidohexylamino)-5-oxopentanoic acid is sourced from PubChem (CID 58992347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).