2-(butanoylamino)ethylphosphonic acid

C6H14NO4P — CID 88586980

IUPAC2-(butanoylamino)ethylphosphonic acid
SMILESCCCC(=O)NCCP(=O)(O)O
InChIInChI=1S/C6H14NO4P/c1-2-3-6(8)7-4-5-12(9,10)11/h2-5H2,1H3,(H,7,8)(H2,9,10,11)
InChIKeyWJXWTTRZVRGWGJ-UHFFFAOYSA-N
MW195.15 g/mol
LogP0.08
Rot. Bonds5

About 2-(butanoylamino)ethylphosphonic acid

2-(butanoylamino)ethylphosphonic acid (PubChem CID 88586980) has the molecular formula C6H14NO4P and a molecular weight of 195.15 g/mol. Its IUPAC name is 2-(butanoylamino)ethylphosphonic acid.

Molecular Properties

Compound Name2-(butanoylamino)ethylphosphonic acid
PubChem CID88586980
Molecular FormulaC6H14NO4P
Molecular Weight195.15 g/mol
Exact Mass195.07
IUPAC Name2-(butanoylamino)ethylphosphonic acid
SMILESCCCC(=O)NCCP(=O)(O)O
InChIInChI=1S/C6H14NO4P/c1-2-3-6(8)7-4-5-12(9,10)11/h2-5H2,1H3,(H,7,8)(H2,9,10,11)
InChIKeyWJXWTTRZVRGWGJ-UHFFFAOYSA-N
XLogP0.08
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.15
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(methylamino)propyl]butanamide
CID 43600791
3-(tetradecanoylamino)propylphosphonic acid
CID 141196377
N-[6-(butanoylamino)hexyl]butanamide
CID 5133798
N-[3-(butanoylamino)propyl]butanamide;molecular hydrogen
CID 142492676
carbon dioxide;[5-(octylamino)-5-oxopentyl]phosphonic acid
CID 160559834
N-[2-[2-(butanoylamino)ethyldisulfanyl]ethyl]butanamide
CID 56621011
N-(2-aminoethyl)butanamide;ethane
CID 143117924
N-[2-(butanoylamino)ethyl]-N'-[2-(methylamino)-2-oxoethyl]butanediamide
CID 176888939
N-[3-(2-methoxyethylamino)-3-oxopropyl]butanamide
CID 115590611
N,N'-dipropyldecanediamide
CID 102239298
N-(4-acetamidobutyl)butanamide
CID 110417477
N-(3-iodopropyl)butanamide
CID 114504418

Frequently Asked Questions

What is the IUPAC name of 2-(butanoylamino)ethylphosphonic acid?
The IUPAC name of 2-(butanoylamino)ethylphosphonic acid (CID 88586980) is 2-(butanoylamino)ethylphosphonic acid.
What is the SMILES notation for 2-(butanoylamino)ethylphosphonic acid?
The canonical SMILES for 2-(butanoylamino)ethylphosphonic acid is CCCC(=O)NCCP(=O)(O)O.
What is the InChIKey of 2-(butanoylamino)ethylphosphonic acid?
The InChIKey is WJXWTTRZVRGWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO4P/c1-2-3-6(8)7-4-5-12(9,10)11/h2-5H2,1H3,(H,7,8)(H2,9,10,11).
What are the key properties of 2-(butanoylamino)ethylphosphonic acid?
2-(butanoylamino)ethylphosphonic acid has a molecular weight of 195.15 g/mol, XLogP of 0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butanoylamino)ethylphosphonic acid is sourced from PubChem (CID 88586980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).