4-phosphonopiperazine-2-carboxylic acid

C5H11N2O5P — CID 174302270

IUPAC4-phosphonopiperazine-2-carboxylic acid
SMILESO=C(O)C1CN(P(=O)(O)O)CCN1
InChIInChI=1S/C5H11N2O5P/c8-5(9)4-3-7(2-1-6-4)13(10,11)12/h4,6H,1-3H2,(H,8,9)(H2,10,11,12)
InChIKeyMULFKLKZIXJQET-UHFFFAOYSA-N
MW210.13 g/mol
LogP-1.56
Rot. Bonds2

About 4-phosphonopiperazine-2-carboxylic acid

4-phosphonopiperazine-2-carboxylic acid (PubChem CID 174302270) has the molecular formula C5H11N2O5P and a molecular weight of 210.13 g/mol. Its IUPAC name is 4-phosphonopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name4-phosphonopiperazine-2-carboxylic acid
PubChem CID174302270
Molecular FormulaC5H11N2O5P
Molecular Weight210.13 g/mol
Exact Mass210.04
IUPAC Name4-phosphonopiperazine-2-carboxylic acid
SMILESO=C(O)C1CN(P(=O)(O)O)CCN1
InChIInChI=1S/C5H11N2O5P/c8-5(9)4-3-7(2-1-6-4)13(10,11)12/h4,6H,1-3H2,(H,8,9)(H2,10,11,12)
InChIKeyMULFKLKZIXJQET-UHFFFAOYSA-N
XLogP-1.56
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.13
LogP ≤ 5-1.56
H-Bond Donors ≤ 54
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 4-phosphonopiperazine-2-carboxylic acid?
The IUPAC name of 4-phosphonopiperazine-2-carboxylic acid (CID 174302270) is 4-phosphonopiperazine-2-carboxylic acid.
What is the SMILES notation for 4-phosphonopiperazine-2-carboxylic acid?
The canonical SMILES for 4-phosphonopiperazine-2-carboxylic acid is O=C(O)C1CN(P(=O)(O)O)CCN1.
What is the InChIKey of 4-phosphonopiperazine-2-carboxylic acid?
The InChIKey is MULFKLKZIXJQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N2O5P/c8-5(9)4-3-7(2-1-6-4)13(10,11)12/h4,6H,1-3H2,(H,8,9)(H2,10,11,12).
What are the key properties of 4-phosphonopiperazine-2-carboxylic acid?
4-phosphonopiperazine-2-carboxylic acid has a molecular weight of 210.13 g/mol, XLogP of -1.56, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phosphonopiperazine-2-carboxylic acid is sourced from PubChem (CID 174302270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).