3-aminobutylphosphonous acid

C4H12NO2P — CID 10374515

IUPAC3-aminobutylphosphonous acid
SMILESCC(N)CCP(O)O
InChIInChI=1S/C4H12NO2P/c1-4(5)2-3-8(6)7/h4,6-7H,2-3,5H2,1H3
InChIKeyYGWJJSDTMOQPOF-UHFFFAOYSA-N
MW137.12 g/mol
LogP0.02
Rot. Bonds3

About 3-aminobutylphosphonous acid

3-aminobutylphosphonous acid (PubChem CID 10374515) has the molecular formula C4H12NO2P and a molecular weight of 137.12 g/mol. Its IUPAC name is 3-aminobutylphosphonous acid.

Molecular Properties

Compound Name3-aminobutylphosphonous acid
PubChem CID10374515
Molecular FormulaC4H12NO2P
Molecular Weight137.12 g/mol
Exact Mass137.06
IUPAC Name3-aminobutylphosphonous acid
SMILESCC(N)CCP(O)O
InChIInChI=1S/C4H12NO2P/c1-4(5)2-3-8(6)7/h4,6-7H,2-3,5H2,1H3
InChIKeyYGWJJSDTMOQPOF-UHFFFAOYSA-N
XLogP0.02
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.12
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-aminobutylphosphonous acid?
The IUPAC name of 3-aminobutylphosphonous acid (CID 10374515) is 3-aminobutylphosphonous acid.
What is the SMILES notation for 3-aminobutylphosphonous acid?
The canonical SMILES for 3-aminobutylphosphonous acid is CC(N)CCP(O)O.
What is the InChIKey of 3-aminobutylphosphonous acid?
The InChIKey is YGWJJSDTMOQPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12NO2P/c1-4(5)2-3-8(6)7/h4,6-7H,2-3,5H2,1H3.
What are the key properties of 3-aminobutylphosphonous acid?
3-aminobutylphosphonous acid has a molecular weight of 137.12 g/mol, XLogP of 0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminobutylphosphonous acid is sourced from PubChem (CID 10374515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).