5-(6-azidohexylamino)-4,6-dihydroxynonanedioic acid

C15H28N4O6 — CID 166681890

IUPAC5-(6-azidohexylamino)-4,6-dihydroxynonanedioic acid
SMILES[N-]=[N+]=NCCCCCCNC(C(O)CCC(=O)O)C(O)CCC(=O)O
InChIInChI=1S/C15H28N4O6/c16-19-18-10-4-2-1-3-9-17-15(11(20)5-7-13(22)23)12(21)6-8-14(24)25/h11-12,15,17,20-21H,1-10H2,(H,22,23)(H,24,25)
InChIKeyIXEQDSCCXTWFOG-UHFFFAOYSA-N
MW360.41 g/mol
LogP1.27
Rot. Bonds16

About 5-(6-azidohexylamino)-4,6-dihydroxynonanedioic acid

5-(6-azidohexylamino)-4,6-dihydroxynonanedioic acid (PubChem CID 166681890) has the molecular formula C15H28N4O6 and a molecular weight of 360.41 g/mol. Its IUPAC name is 5-(6-azidohexylamino)-4,6-dihydroxynonanedioic acid.

Molecular Properties

Compound Name5-(6-azidohexylamino)-4,6-dihydroxynonanedioic acid
PubChem CID166681890
Molecular FormulaC15H28N4O6
Molecular Weight360.41 g/mol
Exact Mass360.20
IUPAC Name5-(6-azidohexylamino)-4,6-dihydroxynonanedioic acid
SMILES[N-]=[N+]=NCCCCCCNC(C(O)CCC(=O)O)C(O)CCC(=O)O
InChIInChI=1S/C15H28N4O6/c16-19-18-10-4-2-1-3-9-17-15(11(20)5-7-13(22)23)12(21)6-8-14(24)25/h11-12,15,17,20-21H,1-10H2,(H,22,23)(H,24,25)
InChIKeyIXEQDSCCXTWFOG-UHFFFAOYSA-N
XLogP1.27
TPSA175.85 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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

9-azidononanoic acid
CID 15230549
5-(6-azidohexylamino)-5-oxopentanoic acid
CID 58992347
16-[(3-azido-1-carboxypropyl)amino]-6-oxohexadecanoic acid
CID 134363451
9-aminononanoic acid;9-azidononanoic acid
CID 159969853
9-azidononanoic acid;9-bromononanoic acid
CID 160878363
5-azido-1,1-dihydroxypentan-2-one
CID 151328078
2-(3-azidopropylamino)-3-hydroxypropanoic acid
CID 104711302
(2S)-2-(5-azidopentanoylamino)-6-(1-hydroxyethylamino)hexanamide
CID 139364815
1,14-diazidotetradecane
CID 146463967
15-(azidomethyl)triacontanedioic acid
CID 172687977
4-(6-hydroxyhexylamino)pentanoic acid
CID 107849657
6-(6-azidohexanoylamino)-7-(2-carboxyethoxy)heptanoic acid
CID 176815937

Frequently Asked Questions

What is the IUPAC name of 5-(6-azidohexylamino)-4,6-dihydroxynonanedioic acid?
The IUPAC name of 5-(6-azidohexylamino)-4,6-dihydroxynonanedioic acid (CID 166681890) is 5-(6-azidohexylamino)-4,6-dihydroxynonanedioic acid.
What is the SMILES notation for 5-(6-azidohexylamino)-4,6-dihydroxynonanedioic acid?
The canonical SMILES for 5-(6-azidohexylamino)-4,6-dihydroxynonanedioic acid is [N-]=[N+]=NCCCCCCNC(C(O)CCC(=O)O)C(O)CCC(=O)O.
What is the InChIKey of 5-(6-azidohexylamino)-4,6-dihydroxynonanedioic acid?
The InChIKey is IXEQDSCCXTWFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O6/c16-19-18-10-4-2-1-3-9-17-15(11(20)5-7-13(22)23)12(21)6-8-14(24)25/h11-12,15,17,20-21H,1-10H2,(H,22,23)(H,24,25).
What are the key properties of 5-(6-azidohexylamino)-4,6-dihydroxynonanedioic acid?
5-(6-azidohexylamino)-4,6-dihydroxynonanedioic acid has a molecular weight of 360.41 g/mol, XLogP of 1.27, 16 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-azidohexylamino)-4,6-dihydroxynonanedioic acid is sourced from PubChem (CID 166681890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).