[(2R)-2-carboxy-2-(methoxycarbonylamino)ethyl]-triphenylphosphanium

C23H23NO4P+ — CID 6336029

IUPAC[(2R)-2-carboxy-2-(methoxycarbonylamino)ethyl]-triphenylphosphanium
SMILESCOC(=O)N[C@@H](C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C23H22NO4P/c1-28-23(27)24-21(22(25)26)17-29(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21H,17H2,1H3,(H-,24,25,26,27)/p+1/t21-/m0/s1
InChIKeyZOPNOHQXLKBUKK-NRFANRHFSA-O
MW408.41 g/mol
LogP2.79
Rot. Bonds7

About [(2R)-2-carboxy-2-(methoxycarbonylamino)ethyl]-triphenylphosphanium

[(2R)-2-carboxy-2-(methoxycarbonylamino)ethyl]-triphenylphosphanium (PubChem CID 6336029) has the molecular formula C23H23NO4P+ and a molecular weight of 408.41 g/mol. Its IUPAC name is [(2R)-2-carboxy-2-(methoxycarbonylamino)ethyl]-triphenylphosphanium.

Molecular Properties

Compound Name[(2R)-2-carboxy-2-(methoxycarbonylamino)ethyl]-triphenylphosphanium
PubChem CID6336029
Molecular FormulaC23H23NO4P+
Molecular Weight408.41 g/mol
Exact Mass408.14
IUPAC Name[(2R)-2-carboxy-2-(methoxycarbonylamino)ethyl]-triphenylphosphanium
SMILESCOC(=O)N[C@@H](C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C23H22NO4P/c1-28-23(27)24-21(22(25)26)17-29(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21H,17H2,1H3,(H-,24,25,26,27)/p+1/t21-/m0/s1
InChIKeyZOPNOHQXLKBUKK-NRFANRHFSA-O
XLogP2.79
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
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 [(2R)-2-carboxy-2-(methoxycarbonylamino)ethyl]-triphenylphosphanium?
The IUPAC name of [(2R)-2-carboxy-2-(methoxycarbonylamino)ethyl]-triphenylphosphanium (CID 6336029) is [(2R)-2-carboxy-2-(methoxycarbonylamino)ethyl]-triphenylphosphanium.
What is the SMILES notation for [(2R)-2-carboxy-2-(methoxycarbonylamino)ethyl]-triphenylphosphanium?
The canonical SMILES for [(2R)-2-carboxy-2-(methoxycarbonylamino)ethyl]-triphenylphosphanium is COC(=O)N[C@@H](C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O.
What is the InChIKey of [(2R)-2-carboxy-2-(methoxycarbonylamino)ethyl]-triphenylphosphanium?
The InChIKey is ZOPNOHQXLKBUKK-NRFANRHFSA-O. The full InChI is InChI=1S/C23H22NO4P/c1-28-23(27)24-21(22(25)26)17-29(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21H,17H2,1H3,(H-,24,25,26,27)/p+1/t21-/m0/s1.
What are the key properties of [(2R)-2-carboxy-2-(methoxycarbonylamino)ethyl]-triphenylphosphanium?
[(2R)-2-carboxy-2-(methoxycarbonylamino)ethyl]-triphenylphosphanium has a molecular weight of 408.41 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-carboxy-2-(methoxycarbonylamino)ethyl]-triphenylphosphanium is sourced from PubChem (CID 6336029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).