pyrrolidin-3-ylphosphonic acid

C4H10NO3P — CID 19370172

IUPACpyrrolidin-3-ylphosphonic acid
SMILESO=P(O)(O)C1CCNC1
InChIInChI=1S/C4H10NO3P/c6-9(7,8)4-1-2-5-3-4/h4-5H,1-3H2,(H2,6,7,8)
InChIKeyTXCIPMCUACFUOM-UHFFFAOYSA-N
MW151.10 g/mol
LogP-0.47
Rot. Bonds1

About pyrrolidin-3-ylphosphonic acid

pyrrolidin-3-ylphosphonic acid (PubChem CID 19370172) has the molecular formula C4H10NO3P and a molecular weight of 151.10 g/mol. Its IUPAC name is pyrrolidin-3-ylphosphonic acid.

Molecular Properties

Compound Namepyrrolidin-3-ylphosphonic acid
PubChem CID19370172
Molecular FormulaC4H10NO3P
Molecular Weight151.10 g/mol
Exact Mass151.04
IUPAC Namepyrrolidin-3-ylphosphonic acid
SMILESO=P(O)(O)C1CCNC1
InChIInChI=1S/C4H10NO3P/c6-9(7,8)4-1-2-5-3-4/h4-5H,1-3H2,(H2,6,7,8)
InChIKeyTXCIPMCUACFUOM-UHFFFAOYSA-N
XLogP-0.47
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.10
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-3-ylphosphonic acid?
The IUPAC name of pyrrolidin-3-ylphosphonic acid (CID 19370172) is pyrrolidin-3-ylphosphonic acid.
What is the SMILES notation for pyrrolidin-3-ylphosphonic acid?
The canonical SMILES for pyrrolidin-3-ylphosphonic acid is O=P(O)(O)C1CCNC1.
What is the InChIKey of pyrrolidin-3-ylphosphonic acid?
The InChIKey is TXCIPMCUACFUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NO3P/c6-9(7,8)4-1-2-5-3-4/h4-5H,1-3H2,(H2,6,7,8).
What are the key properties of pyrrolidin-3-ylphosphonic acid?
pyrrolidin-3-ylphosphonic acid has a molecular weight of 151.10 g/mol, XLogP of -0.47, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-3-ylphosphonic acid is sourced from PubChem (CID 19370172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).