6-amino-2-[2-azidoethoxycarbonyl(iodo)amino]hexanoic acid

C9H16IN5O4 — CID 135315251

IUPAC6-amino-2-[2-azidoethoxycarbonyl(iodo)amino]hexanoic acid
SMILES[N-]=[N+]=NCCOC(=O)N(I)C(CCCCN)C(=O)O
InChIInChI=1S/C9H16IN5O4/c10-15(9(18)19-6-5-13-14-12)7(8(16)17)3-1-2-4-11/h7H,1-6,11H2,(H,16,17)
InChIKeyZIXYUNYNWGLGAM-UHFFFAOYSA-N
MW385.16 g/mol
LogP1.67
Rot. Bonds9

About 6-amino-2-[2-azidoethoxycarbonyl(iodo)amino]hexanoic acid

6-amino-2-[2-azidoethoxycarbonyl(iodo)amino]hexanoic acid (PubChem CID 135315251) has the molecular formula C9H16IN5O4 and a molecular weight of 385.16 g/mol. Its IUPAC name is 6-amino-2-[2-azidoethoxycarbonyl(iodo)amino]hexanoic acid.

Molecular Properties

Compound Name6-amino-2-[2-azidoethoxycarbonyl(iodo)amino]hexanoic acid
PubChem CID135315251
Molecular FormulaC9H16IN5O4
Molecular Weight385.16 g/mol
Exact Mass385.02
IUPAC Name6-amino-2-[2-azidoethoxycarbonyl(iodo)amino]hexanoic acid
SMILES[N-]=[N+]=NCCOC(=O)N(I)C(CCCCN)C(=O)O
InChIInChI=1S/C9H16IN5O4/c10-15(9(18)19-6-5-13-14-12)7(8(16)17)3-1-2-4-11/h7H,1-6,11H2,(H,16,17)
InChIKeyZIXYUNYNWGLGAM-UHFFFAOYSA-N
XLogP1.67
TPSA141.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.16
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2R)-6-amino-2-(2-azidoethoxycarbonylamino)hexanoic acid
CID 156538701
6-amino-2-(diiodoamino)hexanoic acid
CID 175237266
6-amino-2-[azido(phenylmethoxycarbonyl)amino]hexanoic acid
CID 77179098
(2S)-6-amino-2-[di(propan-2-yl)amino]hexanoic acid
CID 150108342
6-amino-2-[azido-(2,5-dioxopyrrol-1-yl)amino]hexanoic acid
CID 126572368
(2S)-6-amino-2-[hydroxy(phosphono)amino]hexanoic acid
CID 54536172
6-amino-2-(2-diazohydrazinyl)hexanoic acid
CID 19973302
azido (2S)-2,6-diaminohexanoate
CID 57478534
9-aminononanoic acid;9-azidononanoic acid
CID 159969853
(2S)-6-amino-2-[ethyl(methyl)amino]hexanoic acid
CID 149149504
(2S)-6-amino-2-[hydroxy(phosphonomethyl)amino]hexanoic acid
CID 25153752
(2S)-6-amino-2-(dinitroamino)hexanoic acid
CID 87748918

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[2-azidoethoxycarbonyl(iodo)amino]hexanoic acid?
The IUPAC name of 6-amino-2-[2-azidoethoxycarbonyl(iodo)amino]hexanoic acid (CID 135315251) is 6-amino-2-[2-azidoethoxycarbonyl(iodo)amino]hexanoic acid.
What is the SMILES notation for 6-amino-2-[2-azidoethoxycarbonyl(iodo)amino]hexanoic acid?
The canonical SMILES for 6-amino-2-[2-azidoethoxycarbonyl(iodo)amino]hexanoic acid is [N-]=[N+]=NCCOC(=O)N(I)C(CCCCN)C(=O)O.
What is the InChIKey of 6-amino-2-[2-azidoethoxycarbonyl(iodo)amino]hexanoic acid?
The InChIKey is ZIXYUNYNWGLGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16IN5O4/c10-15(9(18)19-6-5-13-14-12)7(8(16)17)3-1-2-4-11/h7H,1-6,11H2,(H,16,17).
What are the key properties of 6-amino-2-[2-azidoethoxycarbonyl(iodo)amino]hexanoic acid?
6-amino-2-[2-azidoethoxycarbonyl(iodo)amino]hexanoic acid has a molecular weight of 385.16 g/mol, XLogP of 1.67, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[2-azidoethoxycarbonyl(iodo)amino]hexanoic acid is sourced from PubChem (CID 135315251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).