[(1S,2R)-1-amino-2-ethenylcyclopropyl]-ethylphosphinic acid

C7H14NO2P — CID 59617533

IUPAC[(1S,2R)-1-amino-2-ethenylcyclopropyl]-ethylphosphinic acid
SMILESC=C[C@H]1C[C@]1(N)P(=O)(O)CC
InChIInChI=1S/C7H14NO2P/c1-3-6-5-7(6,8)11(9,10)4-2/h3,6H,1,4-5,8H2,2H3,(H,9,10)/t6-,7-/m0/s1
InChIKeyXLPOXJUQDXBFFT-BQBZGAKWSA-N
MW175.17 g/mol
LogP1.14
Rot. Bonds3

About [(1S,2R)-1-amino-2-ethenylcyclopropyl]-ethylphosphinic acid

[(1S,2R)-1-amino-2-ethenylcyclopropyl]-ethylphosphinic acid (PubChem CID 59617533) has the molecular formula C7H14NO2P and a molecular weight of 175.17 g/mol. Its IUPAC name is [(1S,2R)-1-amino-2-ethenylcyclopropyl]-ethylphosphinic acid.

Molecular Properties

Compound Name[(1S,2R)-1-amino-2-ethenylcyclopropyl]-ethylphosphinic acid
PubChem CID59617533
Molecular FormulaC7H14NO2P
Molecular Weight175.17 g/mol
Exact Mass175.08
IUPAC Name[(1S,2R)-1-amino-2-ethenylcyclopropyl]-ethylphosphinic acid
SMILESC=C[C@H]1C[C@]1(N)P(=O)(O)CC
InChIInChI=1S/C7H14NO2P/c1-3-6-5-7(6,8)11(9,10)4-2/h3,6H,1,4-5,8H2,2H3,(H,9,10)/t6-,7-/m0/s1
InChIKeyXLPOXJUQDXBFFT-BQBZGAKWSA-N
XLogP1.14
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.17
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-1-amino-2-ethenylcyclopropyl]-ethylphosphinic acid?
The IUPAC name of [(1S,2R)-1-amino-2-ethenylcyclopropyl]-ethylphosphinic acid (CID 59617533) is [(1S,2R)-1-amino-2-ethenylcyclopropyl]-ethylphosphinic acid.
What is the SMILES notation for [(1S,2R)-1-amino-2-ethenylcyclopropyl]-ethylphosphinic acid?
The canonical SMILES for [(1S,2R)-1-amino-2-ethenylcyclopropyl]-ethylphosphinic acid is C=C[C@H]1C[C@]1(N)P(=O)(O)CC.
What is the InChIKey of [(1S,2R)-1-amino-2-ethenylcyclopropyl]-ethylphosphinic acid?
The InChIKey is XLPOXJUQDXBFFT-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H14NO2P/c1-3-6-5-7(6,8)11(9,10)4-2/h3,6H,1,4-5,8H2,2H3,(H,9,10)/t6-,7-/m0/s1.
What are the key properties of [(1S,2R)-1-amino-2-ethenylcyclopropyl]-ethylphosphinic acid?
[(1S,2R)-1-amino-2-ethenylcyclopropyl]-ethylphosphinic acid has a molecular weight of 175.17 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-1-amino-2-ethenylcyclopropyl]-ethylphosphinic acid is sourced from PubChem (CID 59617533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).