2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]ethylphosphonic acid

C7H13N2O5P — CID 68512432

IUPAC2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]ethylphosphonic acid
SMILESO=C1CC[C@@H](C(=O)NCCP(=O)(O)O)N1
InChIInChI=1S/C7H13N2O5P/c10-6-2-1-5(9-6)7(11)8-3-4-15(12,13)14/h5H,1-4H2,(H,8,11)(H,9,10)(H2,12,13,14)/t5-/m0/s1
InChIKeyXLUQEJKZFKUOGW-YFKPBYRVSA-N
MW236.16 g/mol
LogP-1.44
Rot. Bonds4

About 2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]ethylphosphonic acid

2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]ethylphosphonic acid (PubChem CID 68512432) has the molecular formula C7H13N2O5P and a molecular weight of 236.16 g/mol. Its IUPAC name is 2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]ethylphosphonic acid.

Molecular Properties

Compound Name2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]ethylphosphonic acid
PubChem CID68512432
Molecular FormulaC7H13N2O5P
Molecular Weight236.16 g/mol
Exact Mass236.06
IUPAC Name2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]ethylphosphonic acid
SMILESO=C1CC[C@@H](C(=O)NCCP(=O)(O)O)N1
InChIInChI=1S/C7H13N2O5P/c10-6-2-1-5(9-6)7(11)8-3-4-15(12,13)14/h5H,1-4H2,(H,8,11)(H,9,10)(H2,12,13,14)/t5-/m0/s1
InChIKeyXLUQEJKZFKUOGW-YFKPBYRVSA-N
XLogP-1.44
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.16
LogP ≤ 5-1.44
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-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]ethylphosphonic acid?
The IUPAC name of 2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]ethylphosphonic acid (CID 68512432) is 2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]ethylphosphonic acid.
What is the SMILES notation for 2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]ethylphosphonic acid?
The canonical SMILES for 2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]ethylphosphonic acid is O=C1CC[C@@H](C(=O)NCCP(=O)(O)O)N1.
What is the InChIKey of 2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]ethylphosphonic acid?
The InChIKey is XLUQEJKZFKUOGW-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H13N2O5P/c10-6-2-1-5(9-6)7(11)8-3-4-15(12,13)14/h5H,1-4H2,(H,8,11)(H,9,10)(H2,12,13,14)/t5-/m0/s1.
What are the key properties of 2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]ethylphosphonic acid?
2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]ethylphosphonic acid has a molecular weight of 236.16 g/mol, XLogP of -1.44, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]ethylphosphonic acid is sourced from PubChem (CID 68512432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).