2-(pyrrolidine-2-carbonylamino)ethylphosphonic acid

C7H15N2O4P — CID 3065980

IUPAC2-(pyrrolidine-2-carbonylamino)ethylphosphonic acid
SMILESO=C(NCCP(=O)(O)O)C1CCCN1
InChIInChI=1S/C7H15N2O4P/c10-7(6-2-1-3-8-6)9-4-5-14(11,12)13/h6,8H,1-5H2,(H,9,10)(H2,11,12,13)
InChIKeyUJWQUEQBTYLGCG-UHFFFAOYSA-N
MW222.18 g/mol
LogP-0.97
Rot. Bonds4

About 2-(pyrrolidine-2-carbonylamino)ethylphosphonic acid

2-(pyrrolidine-2-carbonylamino)ethylphosphonic acid (PubChem CID 3065980) has the molecular formula C7H15N2O4P and a molecular weight of 222.18 g/mol. Its IUPAC name is 2-(pyrrolidine-2-carbonylamino)ethylphosphonic acid.

Molecular Properties

Compound Name2-(pyrrolidine-2-carbonylamino)ethylphosphonic acid
PubChem CID3065980
Molecular FormulaC7H15N2O4P
Molecular Weight222.18 g/mol
Exact Mass222.08
IUPAC Name2-(pyrrolidine-2-carbonylamino)ethylphosphonic acid
SMILESO=C(NCCP(=O)(O)O)C1CCCN1
InChIInChI=1S/C7H15N2O4P/c10-7(6-2-1-3-8-6)9-4-5-14(11,12)13/h6,8H,1-5H2,(H,9,10)(H2,11,12,13)
InChIKeyUJWQUEQBTYLGCG-UHFFFAOYSA-N
XLogP-0.97
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 5-0.97
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 2-(pyrrolidine-2-carbonylamino)ethylphosphonic acid?
The IUPAC name of 2-(pyrrolidine-2-carbonylamino)ethylphosphonic acid (CID 3065980) is 2-(pyrrolidine-2-carbonylamino)ethylphosphonic acid.
What is the SMILES notation for 2-(pyrrolidine-2-carbonylamino)ethylphosphonic acid?
The canonical SMILES for 2-(pyrrolidine-2-carbonylamino)ethylphosphonic acid is O=C(NCCP(=O)(O)O)C1CCCN1.
What is the InChIKey of 2-(pyrrolidine-2-carbonylamino)ethylphosphonic acid?
The InChIKey is UJWQUEQBTYLGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N2O4P/c10-7(6-2-1-3-8-6)9-4-5-14(11,12)13/h6,8H,1-5H2,(H,9,10)(H2,11,12,13).
What are the key properties of 2-(pyrrolidine-2-carbonylamino)ethylphosphonic acid?
2-(pyrrolidine-2-carbonylamino)ethylphosphonic acid has a molecular weight of 222.18 g/mol, XLogP of -0.97, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidine-2-carbonylamino)ethylphosphonic acid is sourced from PubChem (CID 3065980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).