chloro-[2-(hexoxyamino)propanoyloxy]phosphinic acid

C9H19ClNO5P — CID 175054821

IUPACchloro-[2-(hexoxyamino)propanoyloxy]phosphinic acid
SMILESCCCCCCONC(C)C(=O)OP(=O)(O)Cl
InChIInChI=1S/C9H19ClNO5P/c1-3-4-5-6-7-15-11-8(2)9(12)16-17(10,13)14/h8,11H,3-7H2,1-2H3,(H,13,14)
InChIKeyWZAMKJNLHCPREQ-UHFFFAOYSA-N
MW287.68 g/mol
LogP2.36
Rot. Bonds9

About chloro-[2-(hexoxyamino)propanoyloxy]phosphinic acid

chloro-[2-(hexoxyamino)propanoyloxy]phosphinic acid (PubChem CID 175054821) has the molecular formula C9H19ClNO5P and a molecular weight of 287.68 g/mol. Its IUPAC name is chloro-[2-(hexoxyamino)propanoyloxy]phosphinic acid.

Molecular Properties

Compound Namechloro-[2-(hexoxyamino)propanoyloxy]phosphinic acid
PubChem CID175054821
Molecular FormulaC9H19ClNO5P
Molecular Weight287.68 g/mol
Exact Mass287.07
IUPAC Namechloro-[2-(hexoxyamino)propanoyloxy]phosphinic acid
SMILESCCCCCCONC(C)C(=O)OP(=O)(O)Cl
InChIInChI=1S/C9H19ClNO5P/c1-3-4-5-6-7-15-11-8(2)9(12)16-17(10,13)14/h8,11H,3-7H2,1-2H3,(H,13,14)
InChIKeyWZAMKJNLHCPREQ-UHFFFAOYSA-N
XLogP2.36
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.68
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze chloro-[2-(hexoxyamino)propanoyloxy]phosphinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 161488453
CID 161488453
(decoxyamino)phosphonic acid
CID 130423568
2-N-hexoxypropane-1,2-diamine
CID 140866875
sodium;hydride;(1-octoxy-1-oxopropan-2-yl)phosphonic acid
CID 173359622
hexyl(pentoxy)phosphinic acid
CID 139947056
butyl(decoxy)phosphinic acid
CID 139947140
butyl(hexoxy)phosphinic acid
CID 15271220
decoxy(decyl)phosphinic acid;iron
CID 87601920
dodecyl(nonoxy)phosphinic acid
CID 139947157
nonyl 2-chloropropanoate
CID 527519
heptoxy(octadecyl)phosphinic acid
CID 139947141
dipentyl 2,3-dichlorobutanedioate
CID 87640918

Frequently Asked Questions

What is the IUPAC name of chloro-[2-(hexoxyamino)propanoyloxy]phosphinic acid?
The IUPAC name of chloro-[2-(hexoxyamino)propanoyloxy]phosphinic acid (CID 175054821) is chloro-[2-(hexoxyamino)propanoyloxy]phosphinic acid.
What is the SMILES notation for chloro-[2-(hexoxyamino)propanoyloxy]phosphinic acid?
The canonical SMILES for chloro-[2-(hexoxyamino)propanoyloxy]phosphinic acid is CCCCCCONC(C)C(=O)OP(=O)(O)Cl.
What is the InChIKey of chloro-[2-(hexoxyamino)propanoyloxy]phosphinic acid?
The InChIKey is WZAMKJNLHCPREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19ClNO5P/c1-3-4-5-6-7-15-11-8(2)9(12)16-17(10,13)14/h8,11H,3-7H2,1-2H3,(H,13,14).
What are the key properties of chloro-[2-(hexoxyamino)propanoyloxy]phosphinic acid?
chloro-[2-(hexoxyamino)propanoyloxy]phosphinic acid has a molecular weight of 287.68 g/mol, XLogP of 2.36, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[2-(hexoxyamino)propanoyloxy]phosphinic acid is sourced from PubChem (CID 175054821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).