1-phosphanylazetidine-3-carboxylic acid

C4H8NO2P — CID 58494573

IUPAC1-phosphanylazetidine-3-carboxylic acid
SMILESO=C(O)C1CN(P)C1
InChIInChI=1S/C4H8NO2P/c6-4(7)3-1-5(8)2-3/h3H,1-2,8H2,(H,6,7)
InChIKeyDAFXLIRNKCCNST-UHFFFAOYSA-N
MW133.09 g/mol
LogP-0.21
Rot. Bonds1

About 1-phosphanylazetidine-3-carboxylic acid

1-phosphanylazetidine-3-carboxylic acid (PubChem CID 58494573) has the molecular formula C4H8NO2P and a molecular weight of 133.09 g/mol. Its IUPAC name is 1-phosphanylazetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-phosphanylazetidine-3-carboxylic acid
PubChem CID58494573
Molecular FormulaC4H8NO2P
Molecular Weight133.09 g/mol
Exact Mass133.03
IUPAC Name1-phosphanylazetidine-3-carboxylic acid
SMILESO=C(O)C1CN(P)C1
InChIInChI=1S/C4H8NO2P/c6-4(7)3-1-5(8)2-3/h3H,1-2,8H2,(H,6,7)
InChIKeyDAFXLIRNKCCNST-UHFFFAOYSA-N
XLogP-0.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.09
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
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 1-phosphanylazetidine-3-carboxylic acid?
The IUPAC name of 1-phosphanylazetidine-3-carboxylic acid (CID 58494573) is 1-phosphanylazetidine-3-carboxylic acid.
What is the SMILES notation for 1-phosphanylazetidine-3-carboxylic acid?
The canonical SMILES for 1-phosphanylazetidine-3-carboxylic acid is O=C(O)C1CN(P)C1.
What is the InChIKey of 1-phosphanylazetidine-3-carboxylic acid?
The InChIKey is DAFXLIRNKCCNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8NO2P/c6-4(7)3-1-5(8)2-3/h3H,1-2,8H2,(H,6,7).
What are the key properties of 1-phosphanylazetidine-3-carboxylic acid?
1-phosphanylazetidine-3-carboxylic acid has a molecular weight of 133.09 g/mol, XLogP of -0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phosphanylazetidine-3-carboxylic acid is sourced from PubChem (CID 58494573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).