(2S)-2-(tert-butylazaniumyl)-2-diphenylphosphanylacetate;methanol

C19H26NO3P — CID 139179681

IUPAC(2S)-2-(tert-butylazaniumyl)-2-diphenylphosphanylacetate;methanol
SMILESCC(C)(C)[NH2+][C@H](C(=O)[O-])P(c1ccccc1)c1ccccc1.CO
InChIInChI=1S/C18H22NO2P.CH4O/c1-18(2,3)19-16(17(20)21)22(14-10-6-4-7-11-14)15-12-8-5-9-13-15;1-2/h4-13,16,19H,1-3H3,(H,20,21);2H,1H3/t16-;/m0./s1
InChIKeyFHKBPVMTACYACT-NTISSMGPSA-N
MW347.40 g/mol
LogP0.17
Rot. Bonds5

About (2S)-2-(tert-butylazaniumyl)-2-diphenylphosphanylacetate;methanol

(2S)-2-(tert-butylazaniumyl)-2-diphenylphosphanylacetate;methanol (PubChem CID 139179681) has the molecular formula C19H26NO3P and a molecular weight of 347.40 g/mol. Its IUPAC name is (2S)-2-(tert-butylazaniumyl)-2-diphenylphosphanylacetate;methanol.

Molecular Properties

Compound Name(2S)-2-(tert-butylazaniumyl)-2-diphenylphosphanylacetate;methanol
PubChem CID139179681
Molecular FormulaC19H26NO3P
Molecular Weight347.40 g/mol
Exact Mass347.17
IUPAC Name(2S)-2-(tert-butylazaniumyl)-2-diphenylphosphanylacetate;methanol
SMILESCC(C)(C)[NH2+][C@H](C(=O)[O-])P(c1ccccc1)c1ccccc1.CO
InChIInChI=1S/C18H22NO2P.CH4O/c1-18(2,3)19-16(17(20)21)22(14-10-6-4-7-11-14)15-12-8-5-9-13-15;1-2/h4-13,16,19H,1-3H3,(H,20,21);2H,1H3/t16-;/m0./s1
InChIKeyFHKBPVMTACYACT-NTISSMGPSA-N
XLogP0.17
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 50.17
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 (2S)-2-(tert-butylazaniumyl)-2-diphenylphosphanylacetate;methanol?
The IUPAC name of (2S)-2-(tert-butylazaniumyl)-2-diphenylphosphanylacetate;methanol (CID 139179681) is (2S)-2-(tert-butylazaniumyl)-2-diphenylphosphanylacetate;methanol.
What is the SMILES notation for (2S)-2-(tert-butylazaniumyl)-2-diphenylphosphanylacetate;methanol?
The canonical SMILES for (2S)-2-(tert-butylazaniumyl)-2-diphenylphosphanylacetate;methanol is CC(C)(C)[NH2+][C@H](C(=O)[O-])P(c1ccccc1)c1ccccc1.CO.
What is the InChIKey of (2S)-2-(tert-butylazaniumyl)-2-diphenylphosphanylacetate;methanol?
The InChIKey is FHKBPVMTACYACT-NTISSMGPSA-N. The full InChI is InChI=1S/C18H22NO2P.CH4O/c1-18(2,3)19-16(17(20)21)22(14-10-6-4-7-11-14)15-12-8-5-9-13-15;1-2/h4-13,16,19H,1-3H3,(H,20,21);2H,1H3/t16-;/m0./s1.
What are the key properties of (2S)-2-(tert-butylazaniumyl)-2-diphenylphosphanylacetate;methanol?
(2S)-2-(tert-butylazaniumyl)-2-diphenylphosphanylacetate;methanol has a molecular weight of 347.40 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(tert-butylazaniumyl)-2-diphenylphosphanylacetate;methanol is sourced from PubChem (CID 139179681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).