2-(2-azidoethylamino)octanoic acid

C10H20N4O2 — CID 66190006

IUPAC2-(2-azidoethylamino)octanoic acid
SMILESCCCCCCC(NCCN=[N+]=[N-])C(=O)O
InChIInChI=1S/C10H20N4O2/c1-2-3-4-5-6-9(10(15)16)12-7-8-13-14-11/h9,12H,2-8H2,1H3,(H,15,16)
InChIKeySLDMKMCOQCZPMS-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.31
Rot. Bonds10

About 2-(2-azidoethylamino)octanoic acid

2-(2-azidoethylamino)octanoic acid (PubChem CID 66190006) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-(2-azidoethylamino)octanoic acid.

Molecular Properties

Compound Name2-(2-azidoethylamino)octanoic acid
PubChem CID66190006
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC Name2-(2-azidoethylamino)octanoic acid
SMILESCCCCCCC(NCCN=[N+]=[N-])C(=O)O
InChIInChI=1S/C10H20N4O2/c1-2-3-4-5-6-9(10(15)16)12-7-8-13-14-11/h9,12H,2-8H2,1H3,(H,15,16)
InChIKeySLDMKMCOQCZPMS-UHFFFAOYSA-N
XLogP2.31
TPSA98.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.31
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

2-(2-azidoethylamino)pentanoic acid
CID 66191397
2-(propylamino)tetradecanoic acid
CID 54527307
2-[2-(1-carboxynonylamino)ethylamino]decanoic acid
CID 86120299
2-(pentylamino)octanoic acid
CID 129188286
2-(dodecylamino)hexanoic acid
CID 139637216
2-(dodecylamino)-6-isothiocyanatohexanoic acid
CID 169308286
(2S)-2-(6-carboxyhexylamino)decanoic acid
CID 124673847
6-amino-2-(hexylamino)hexanoic acid
CID 87424914
(2S)-6-amino-2-(octylamino)hexanoic acid
CID 88516426
6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]hexadecylamino]-2-[[(2S)-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]hexadecyl]amino]hexanoic acid
CID 91389023
5-(diaminomethylideneamino)-2-(hexylamino)pentanoic acid
CID 19382481
2-(6-methylheptylamino)hexanoic acid
CID 150739984

Frequently Asked Questions

What is the IUPAC name of 2-(2-azidoethylamino)octanoic acid?
The IUPAC name of 2-(2-azidoethylamino)octanoic acid (CID 66190006) is 2-(2-azidoethylamino)octanoic acid.
What is the SMILES notation for 2-(2-azidoethylamino)octanoic acid?
The canonical SMILES for 2-(2-azidoethylamino)octanoic acid is CCCCCCC(NCCN=[N+]=[N-])C(=O)O.
What is the InChIKey of 2-(2-azidoethylamino)octanoic acid?
The InChIKey is SLDMKMCOQCZPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-2-3-4-5-6-9(10(15)16)12-7-8-13-14-11/h9,12H,2-8H2,1H3,(H,15,16).
What are the key properties of 2-(2-azidoethylamino)octanoic acid?
2-(2-azidoethylamino)octanoic acid has a molecular weight of 228.30 g/mol, XLogP of 2.31, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azidoethylamino)octanoic acid is sourced from PubChem (CID 66190006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).