6-amino-2-(diiodoamino)hexanoic acid

C6H12I2N2O2 — CID 175237266

IUPAC6-amino-2-(diiodoamino)hexanoic acid
SMILESNCCCCC(C(=O)O)N(I)I
InChIInChI=1S/C6H12I2N2O2/c7-10(8)5(6(11)12)3-1-2-4-9/h5H,1-4,9H2,(H,11,12)
InChIKeyBNXNEHDLVBNSKV-UHFFFAOYSA-N
MW397.98 g/mol
LogP1.57
Rot. Bonds6

About 6-amino-2-(diiodoamino)hexanoic acid

6-amino-2-(diiodoamino)hexanoic acid (PubChem CID 175237266) has the molecular formula C6H12I2N2O2 and a molecular weight of 397.98 g/mol. Its IUPAC name is 6-amino-2-(diiodoamino)hexanoic acid.

Molecular Properties

Compound Name6-amino-2-(diiodoamino)hexanoic acid
PubChem CID175237266
Molecular FormulaC6H12I2N2O2
Molecular Weight397.98 g/mol
Exact Mass397.90
IUPAC Name6-amino-2-(diiodoamino)hexanoic acid
SMILESNCCCCC(C(=O)O)N(I)I
InChIInChI=1S/C6H12I2N2O2/c7-10(8)5(6(11)12)3-1-2-4-9/h5H,1-4,9H2,(H,11,12)
InChIKeyBNXNEHDLVBNSKV-UHFFFAOYSA-N
XLogP1.57
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.98
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

8-amino-3-(diiodoamino)octan-2-one
CID 88698976
(2S)-6-amino-2-[di(propan-2-yl)amino]hexanoic acid
CID 150108342
(2S)-6-amino-2-[ethyl(methyl)amino]hexanoic acid
CID 149149504
(2S)-6-amino-2-(dinitroamino)hexanoic acid
CID 87748918
(2S)-6-amino-2-[hydroxy(phosphono)amino]hexanoic acid
CID 54536172
2-[[(1S)-5-amino-1-carboxypentyl]-prop-2-enoylamino]propanedioic acid
CID 141447333
(2S)-6-amino-2-[methyl(propyl)amino]hexanoic acid
CID 150390621
(2S)-6-amino-2-(dipentylamino)hexanoic acid
CID 57295047
(2S)-6-amino-2-[hydroxy(phosphonomethyl)amino]hexanoic acid
CID 25153752
(2S)-6-amino-2-[(2-deuterioacetyl)-methylamino]hexanoic acid
CID 153428240
2-(7-aminoheptyl)propanedioic acid
CID 90276909
2-(11-aminoundecyl)propanedioic acid
CID 87187189

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(diiodoamino)hexanoic acid?
The IUPAC name of 6-amino-2-(diiodoamino)hexanoic acid (CID 175237266) is 6-amino-2-(diiodoamino)hexanoic acid.
What is the SMILES notation for 6-amino-2-(diiodoamino)hexanoic acid?
The canonical SMILES for 6-amino-2-(diiodoamino)hexanoic acid is NCCCCC(C(=O)O)N(I)I.
What is the InChIKey of 6-amino-2-(diiodoamino)hexanoic acid?
The InChIKey is BNXNEHDLVBNSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12I2N2O2/c7-10(8)5(6(11)12)3-1-2-4-9/h5H,1-4,9H2,(H,11,12).
What are the key properties of 6-amino-2-(diiodoamino)hexanoic acid?
6-amino-2-(diiodoamino)hexanoic acid has a molecular weight of 397.98 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(diiodoamino)hexanoic acid is sourced from PubChem (CID 175237266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).