2-ethylbutylphosphonamidic acid

C6H16NO2P — CID 22717998

IUPAC2-ethylbutylphosphonamidic acid
SMILESCCC(CC)CP(N)(=O)O
InChIInChI=1S/C6H16NO2P/c1-3-6(4-2)5-10(7,8)9/h6H,3-5H2,1-2H3,(H3,7,8,9)
InChIKeyKWCMOEXBFQVBKW-UHFFFAOYSA-N
MW165.17 g/mol
LogP1.57
Rot. Bonds4

About 2-ethylbutylphosphonamidic acid

2-ethylbutylphosphonamidic acid (PubChem CID 22717998) has the molecular formula C6H16NO2P and a molecular weight of 165.17 g/mol. Its IUPAC name is 2-ethylbutylphosphonamidic acid.

Molecular Properties

Compound Name2-ethylbutylphosphonamidic acid
PubChem CID22717998
Molecular FormulaC6H16NO2P
Molecular Weight165.17 g/mol
Exact Mass165.09
IUPAC Name2-ethylbutylphosphonamidic acid
SMILESCCC(CC)CP(N)(=O)O
InChIInChI=1S/C6H16NO2P/c1-3-6(4-2)5-10(7,8)9/h6H,3-5H2,1-2H3,(H3,7,8,9)
InChIKeyKWCMOEXBFQVBKW-UHFFFAOYSA-N
XLogP1.57
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-ethylbutylphosphonamidic 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

2-fluoropropylphosphonamidic acid
CID 87653292
propylphosphonamidic acid
CID 22250964
(1-ethoxy-4-ethyl-1-oxohexan-2-yl)phosphonic acid
CID 87313446
(2R)-2,4-diethylhexanamide
CID 95562524
[(1S)-1-aminopropyl]phosphonic acid
CID 6994862
[1-(2-ethylbutoxy)-1-oxopropan-2-yl]oxyphosphonamidic acid
CID 166731877
1-aminopropan-1-ol;butane;phosphoric acid
CID 87838613
[(1S)-1-amino-3-hydroxypentyl]phosphonic acid
CID 15348708
2-(aminomethyl)-4-ethylhexanamide
CID 62313240
bis(2-methylbutyl)phosphinic acid;propane
CID 160577161
2-propylpentylphosphonic acid
CID 172756070
di(hexan-3-yl)phosphinic acid
CID 141467079

Frequently Asked Questions

What is the IUPAC name of 2-ethylbutylphosphonamidic acid?
The IUPAC name of 2-ethylbutylphosphonamidic acid (CID 22717998) is 2-ethylbutylphosphonamidic acid.
What is the SMILES notation for 2-ethylbutylphosphonamidic acid?
The canonical SMILES for 2-ethylbutylphosphonamidic acid is CCC(CC)CP(N)(=O)O.
What is the InChIKey of 2-ethylbutylphosphonamidic acid?
The InChIKey is KWCMOEXBFQVBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16NO2P/c1-3-6(4-2)5-10(7,8)9/h6H,3-5H2,1-2H3,(H3,7,8,9).
What are the key properties of 2-ethylbutylphosphonamidic acid?
2-ethylbutylphosphonamidic acid has a molecular weight of 165.17 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylbutylphosphonamidic acid is sourced from PubChem (CID 22717998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).