[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methylphosphonic acid

C7H15N2O4P — CID 13208154

IUPAC[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methylphosphonic acid
SMILESO=C(CNCP(=O)(O)O)N1CCCC1
InChIInChI=1S/C7H15N2O4P/c10-7(9-3-1-2-4-9)5-8-6-14(11,12)13/h8H,1-6H2,(H2,11,12,13)
InChIKeyYKUCCWLGEUORMV-UHFFFAOYSA-N
MW222.18 g/mol
LogP-0.67
Rot. Bonds4

About [(2-oxo-2-pyrrolidin-1-ylethyl)amino]methylphosphonic acid

[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methylphosphonic acid (PubChem CID 13208154) has the molecular formula C7H15N2O4P and a molecular weight of 222.18 g/mol. Its IUPAC name is [(2-oxo-2-pyrrolidin-1-ylethyl)amino]methylphosphonic acid.

Molecular Properties

Compound Name[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methylphosphonic acid
PubChem CID13208154
Molecular FormulaC7H15N2O4P
Molecular Weight222.18 g/mol
Exact Mass222.08
IUPAC Name[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methylphosphonic acid
SMILESO=C(CNCP(=O)(O)O)N1CCCC1
InChIInChI=1S/C7H15N2O4P/c10-7(9-3-1-2-4-9)5-8-6-14(11,12)13/h8H,1-6H2,(H2,11,12,13)
InChIKeyYKUCCWLGEUORMV-UHFFFAOYSA-N
XLogP-0.67
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
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-oxo-2-pyrrolidin-1-ylethyl)amino]methylphosphonic acid?
The IUPAC name of [(2-oxo-2-pyrrolidin-1-ylethyl)amino]methylphosphonic acid (CID 13208154) is [(2-oxo-2-pyrrolidin-1-ylethyl)amino]methylphosphonic acid.
What is the SMILES notation for [(2-oxo-2-pyrrolidin-1-ylethyl)amino]methylphosphonic acid?
The canonical SMILES for [(2-oxo-2-pyrrolidin-1-ylethyl)amino]methylphosphonic acid is O=C(CNCP(=O)(O)O)N1CCCC1.
What is the InChIKey of [(2-oxo-2-pyrrolidin-1-ylethyl)amino]methylphosphonic acid?
The InChIKey is YKUCCWLGEUORMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N2O4P/c10-7(9-3-1-2-4-9)5-8-6-14(11,12)13/h8H,1-6H2,(H2,11,12,13).
What are the key properties of [(2-oxo-2-pyrrolidin-1-ylethyl)amino]methylphosphonic acid?
[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methylphosphonic acid has a molecular weight of 222.18 g/mol, XLogP of -0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-oxo-2-pyrrolidin-1-ylethyl)amino]methylphosphonic acid is sourced from PubChem (CID 13208154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).