2-(dichloroamino)-8-(oxo-λ5-phosphanylidyne)octanoic acid

C8H12Cl2NO3P — CID 141117796

IUPAC2-(dichloroamino)-8-(oxo-λ5-phosphanylidyne)octanoic acid
SMILESO=P#CCCCCCC(C(=O)O)N(Cl)Cl
InChIInChI=1S/C8H12Cl2NO3P/c9-11(10)7(8(12)13)5-3-1-2-4-6-15-14/h7H,1-5H2,(H,12,13)
InChIKeyJTPOIWDQLLGKNY-UHFFFAOYSA-N
MW272.07 g/mol
LogP3.25
Rot. Bonds7

About 2-(dichloroamino)-8-(oxo-λ5-phosphanylidyne)octanoic acid

2-(dichloroamino)-8-(oxo-λ5-phosphanylidyne)octanoic acid (PubChem CID 141117796) has the molecular formula C8H12Cl2NO3P and a molecular weight of 272.07 g/mol. Its IUPAC name is 2-(dichloroamino)-8-(oxo-λ5-phosphanylidyne)octanoic acid.

Molecular Properties

Compound Name2-(dichloroamino)-8-(oxo-λ5-phosphanylidyne)octanoic acid
PubChem CID141117796
Molecular FormulaC8H12Cl2NO3P
Molecular Weight272.07 g/mol
Exact Mass270.99
IUPAC Name2-(dichloroamino)-8-(oxo-λ5-phosphanylidyne)octanoic acid
SMILESO=P#CCCCCCC(C(=O)O)N(Cl)Cl
InChIInChI=1S/C8H12Cl2NO3P/c9-11(10)7(8(12)13)5-3-1-2-4-6-15-14/h7H,1-5H2,(H,12,13)
InChIKeyJTPOIWDQLLGKNY-UHFFFAOYSA-N
XLogP3.25
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.07
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-9-(oxo-λ5-phosphanylidyne)nonanoic acid
CID 164896225
5-amino-2-(dichloroamino)-5-oxopentanoic acid
CID 21446182
(2S)-2-fluoro-5-(oxo-λ5-phosphanylidyne)pentanoic acid
CID 126600650
(2S)-2-(dichloroamino)-3-hydroxypropanoic acid
CID 57128286
2-(dimethylamino)tetracosanoic acid
CID 19101458
2-(dimethylamino)-10-methylundecanoic acid
CID 154202442
4-amino-2-(dichloroamino)-4-oxobutanoic acid
CID 87518642
2,7-bis(diethylamino)octanedioic acid
CID 175151576
2-(dimethylamino)pentadecanoic acid;hydrochloride
CID 87499144
2-(dimethylamino)tetradecanoic acid;hydroiodide
CID 122684236
2-(dimethylamino)hexacosanoic acid;hydrobromide
CID 173436774
(2S)-6-amino-2-[di(propan-2-yl)amino]hexanoic acid
CID 150108342

Frequently Asked Questions

What is the IUPAC name of 2-(dichloroamino)-8-(oxo-λ5-phosphanylidyne)octanoic acid?
The IUPAC name of 2-(dichloroamino)-8-(oxo-λ5-phosphanylidyne)octanoic acid (CID 141117796) is 2-(dichloroamino)-8-(oxo-λ5-phosphanylidyne)octanoic acid.
What is the SMILES notation for 2-(dichloroamino)-8-(oxo-λ5-phosphanylidyne)octanoic acid?
The canonical SMILES for 2-(dichloroamino)-8-(oxo-λ5-phosphanylidyne)octanoic acid is O=P#CCCCCCC(C(=O)O)N(Cl)Cl.
What is the InChIKey of 2-(dichloroamino)-8-(oxo-λ5-phosphanylidyne)octanoic acid?
The InChIKey is JTPOIWDQLLGKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12Cl2NO3P/c9-11(10)7(8(12)13)5-3-1-2-4-6-15-14/h7H,1-5H2,(H,12,13).
What are the key properties of 2-(dichloroamino)-8-(oxo-λ5-phosphanylidyne)octanoic acid?
2-(dichloroamino)-8-(oxo-λ5-phosphanylidyne)octanoic acid has a molecular weight of 272.07 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dichloroamino)-8-(oxo-λ5-phosphanylidyne)octanoic acid is sourced from PubChem (CID 141117796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).