1-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]ethylphosphonic acid

C7H13N2O5P — CID 68506277

IUPAC1-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]ethylphosphonic acid
SMILESCC(NC(=O)[C@@H]1CCC(=O)N1)P(=O)(O)O
InChIInChI=1S/C7H13N2O5P/c1-4(15(12,13)14)8-7(11)5-2-3-6(10)9-5/h4-5H,2-3H2,1H3,(H,8,11)(H,9,10)(H2,12,13,14)/t4?,5-/m0/s1
InChIKeyBZOJEUUIGQSHLE-AKGZTFGVSA-N
MW236.16 g/mol
LogP-1.10
Rot. Bonds3

About 1-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]ethylphosphonic acid

1-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]ethylphosphonic acid (PubChem CID 68506277) has the molecular formula C7H13N2O5P and a molecular weight of 236.16 g/mol. Its IUPAC name is 1-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]ethylphosphonic acid.

Molecular Properties

Compound Name1-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]ethylphosphonic acid
PubChem CID68506277
Molecular FormulaC7H13N2O5P
Molecular Weight236.16 g/mol
Exact Mass236.06
IUPAC Name1-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]ethylphosphonic acid
SMILESCC(NC(=O)[C@@H]1CCC(=O)N1)P(=O)(O)O
InChIInChI=1S/C7H13N2O5P/c1-4(15(12,13)14)8-7(11)5-2-3-6(10)9-5/h4-5H,2-3H2,1H3,(H,8,11)(H,9,10)(H2,12,13,14)/t4?,5-/m0/s1
InChIKeyBZOJEUUIGQSHLE-AKGZTFGVSA-N
XLogP-1.10
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.16
LogP ≤ 5-1.10
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 1-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]ethylphosphonic acid?
The IUPAC name of 1-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]ethylphosphonic acid (CID 68506277) is 1-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]ethylphosphonic acid.
What is the SMILES notation for 1-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]ethylphosphonic acid?
The canonical SMILES for 1-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]ethylphosphonic acid is CC(NC(=O)[C@@H]1CCC(=O)N1)P(=O)(O)O.
What is the InChIKey of 1-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]ethylphosphonic acid?
The InChIKey is BZOJEUUIGQSHLE-AKGZTFGVSA-N. The full InChI is InChI=1S/C7H13N2O5P/c1-4(15(12,13)14)8-7(11)5-2-3-6(10)9-5/h4-5H,2-3H2,1H3,(H,8,11)(H,9,10)(H2,12,13,14)/t4?,5-/m0/s1.
What are the key properties of 1-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]ethylphosphonic acid?
1-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]ethylphosphonic acid has a molecular weight of 236.16 g/mol, XLogP of -1.10, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]ethylphosphonic acid is sourced from PubChem (CID 68506277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).