3-aminobutan-2-ylphosphonous acid

C4H12NO2P — CID 19090898

IUPAC3-aminobutan-2-ylphosphonous acid
SMILESCC(N)C(C)P(O)O
InChIInChI=1S/C4H12NO2P/c1-3(5)4(2)8(6)7/h3-4,6-7H,5H2,1-2H3
InChIKeyDFBAYEBBCNSETK-UHFFFAOYSA-N
MW137.12 g/mol
LogP0.02
Rot. Bonds2

About 3-aminobutan-2-ylphosphonous acid

3-aminobutan-2-ylphosphonous acid (PubChem CID 19090898) has the molecular formula C4H12NO2P and a molecular weight of 137.12 g/mol. Its IUPAC name is 3-aminobutan-2-ylphosphonous acid.

Molecular Properties

Compound Name3-aminobutan-2-ylphosphonous acid
PubChem CID19090898
Molecular FormulaC4H12NO2P
Molecular Weight137.12 g/mol
Exact Mass137.06
IUPAC Name3-aminobutan-2-ylphosphonous acid
SMILESCC(N)C(C)P(O)O
InChIInChI=1S/C4H12NO2P/c1-3(5)4(2)8(6)7/h3-4,6-7H,5H2,1-2H3
InChIKeyDFBAYEBBCNSETK-UHFFFAOYSA-N
XLogP0.02
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
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-aminobutan-2-ylphosphonous acid?
The IUPAC name of 3-aminobutan-2-ylphosphonous acid (CID 19090898) is 3-aminobutan-2-ylphosphonous acid.
What is the SMILES notation for 3-aminobutan-2-ylphosphonous acid?
The canonical SMILES for 3-aminobutan-2-ylphosphonous acid is CC(N)C(C)P(O)O.
What is the InChIKey of 3-aminobutan-2-ylphosphonous acid?
The InChIKey is DFBAYEBBCNSETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12NO2P/c1-3(5)4(2)8(6)7/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 3-aminobutan-2-ylphosphonous acid?
3-aminobutan-2-ylphosphonous acid has a molecular weight of 137.12 g/mol, XLogP of 0.02, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminobutan-2-ylphosphonous acid is sourced from PubChem (CID 19090898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).