5-[methoxy(prop-2-enoyl)amino]pentylphosphonic acid

C9H18NO5P — CID 58288631

IUPAC5-[methoxy(prop-2-enoyl)amino]pentylphosphonic acid
SMILESC=CC(=O)N(CCCCCP(=O)(O)O)OC
InChIInChI=1S/C9H18NO5P/c1-3-9(11)10(15-2)7-5-4-6-8-16(12,13)14/h3H,1,4-8H2,2H3,(H2,12,13,14)
InChIKeyRBIZYEXXBPLELA-UHFFFAOYSA-N
MW251.22 g/mol
LogP0.91
Rot. Bonds8

About 5-[methoxy(prop-2-enoyl)amino]pentylphosphonic acid

5-[methoxy(prop-2-enoyl)amino]pentylphosphonic acid (PubChem CID 58288631) has the molecular formula C9H18NO5P and a molecular weight of 251.22 g/mol. Its IUPAC name is 5-[methoxy(prop-2-enoyl)amino]pentylphosphonic acid.

Molecular Properties

Compound Name5-[methoxy(prop-2-enoyl)amino]pentylphosphonic acid
PubChem CID58288631
Molecular FormulaC9H18NO5P
Molecular Weight251.22 g/mol
Exact Mass251.09
IUPAC Name5-[methoxy(prop-2-enoyl)amino]pentylphosphonic acid
SMILESC=CC(=O)N(CCCCCP(=O)(O)O)OC
InChIInChI=1S/C9H18NO5P/c1-3-9(11)10(15-2)7-5-4-6-8-16(12,13)14/h3H,1,4-8H2,2H3,(H2,12,13,14)
InChIKeyRBIZYEXXBPLELA-UHFFFAOYSA-N
XLogP0.91
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 5-[methoxy(prop-2-enoyl)amino]pentylphosphonic 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

6-[ethyl(prop-2-enoyl)amino]hexylphosphonic acid
CID 102525241
5-[3,5-bis[methoxy(prop-2-enoyl)amino]cyclohexanecarbonyl]oxypentyl-methylphosphinic acid;methane;N-methoxy-N-(13-oxotetradecyl)prop-2-enamide;5-[3-[methoxy(prop-2-enoyl)amino]cyclohexanecarbonyl]oxypentyl-methylphosphinic acid
CID 161038713
5-phosphonopentylphosphonic acid
CID 2773804
8-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]octylphosphonic acid
CID 123132067
N-[6-[di(prop-2-enoyl)amino]hexyl]-N-prop-2-enoylprop-2-enamide
CID 89189682
9-[ethyl(prop-2-enoyl)amino]nonyl dihydrogen phosphate
CID 142375192
[1-phosphono-7-[prop-2-enoyl-[2-[prop-2-enoyl(propyl)amino]ethyl]amino]heptyl]phosphonic acid
CID 134429982
hexylphosphonic acid;octylphosphonic acid
CID 155346901
N-benzyl-N-methoxyprop-2-enamide
CID 86239438
11-methoxysilylundecylphosphonic acid
CID 123212644
hexadecyl(4-prop-2-enoyloxybutyl)phosphinic acid
CID 139843854
octyl(6-prop-2-enoyloxyhexyl)phosphinic acid
CID 139843819

Frequently Asked Questions

What is the IUPAC name of 5-[methoxy(prop-2-enoyl)amino]pentylphosphonic acid?
The IUPAC name of 5-[methoxy(prop-2-enoyl)amino]pentylphosphonic acid (CID 58288631) is 5-[methoxy(prop-2-enoyl)amino]pentylphosphonic acid.
What is the SMILES notation for 5-[methoxy(prop-2-enoyl)amino]pentylphosphonic acid?
The canonical SMILES for 5-[methoxy(prop-2-enoyl)amino]pentylphosphonic acid is C=CC(=O)N(CCCCCP(=O)(O)O)OC.
What is the InChIKey of 5-[methoxy(prop-2-enoyl)amino]pentylphosphonic acid?
The InChIKey is RBIZYEXXBPLELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NO5P/c1-3-9(11)10(15-2)7-5-4-6-8-16(12,13)14/h3H,1,4-8H2,2H3,(H2,12,13,14).
What are the key properties of 5-[methoxy(prop-2-enoyl)amino]pentylphosphonic acid?
5-[methoxy(prop-2-enoyl)amino]pentylphosphonic acid has a molecular weight of 251.22 g/mol, XLogP of 0.91, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methoxy(prop-2-enoyl)amino]pentylphosphonic acid is sourced from PubChem (CID 58288631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).