(2S)-2-[diphenylphosphoryl(methyl)amino]-3-phenylpropanoic acid

C22H22NO3P — CID 71387585

IUPAC(2S)-2-[diphenylphosphoryl(methyl)amino]-3-phenylpropanoic acid
SMILESCN([C@@H](Cc1ccccc1)C(=O)O)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22NO3P/c1-23(21(22(24)25)17-18-11-5-2-6-12-18)27(26,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21H,17H2,1H3,(H,24,25)/t21-/m0/s1
InChIKeyAEWJPPXOVVCHSA-NRFANRHFSA-N
MW379.40 g/mol
LogP3.54
Rot. Bonds7

About (2S)-2-[diphenylphosphoryl(methyl)amino]-3-phenylpropanoic acid

(2S)-2-[diphenylphosphoryl(methyl)amino]-3-phenylpropanoic acid (PubChem CID 71387585) has the molecular formula C22H22NO3P and a molecular weight of 379.40 g/mol. Its IUPAC name is (2S)-2-[diphenylphosphoryl(methyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-[diphenylphosphoryl(methyl)amino]-3-phenylpropanoic acid
PubChem CID71387585
Molecular FormulaC22H22NO3P
Molecular Weight379.40 g/mol
Exact Mass379.13
IUPAC Name(2S)-2-[diphenylphosphoryl(methyl)amino]-3-phenylpropanoic acid
SMILESCN([C@@H](Cc1ccccc1)C(=O)O)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22NO3P/c1-23(21(22(24)25)17-18-11-5-2-6-12-18)27(26,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21H,17H2,1H3,(H,24,25)/t21-/m0/s1
InChIKeyAEWJPPXOVVCHSA-NRFANRHFSA-N
XLogP3.54
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[benzyl(methyl)amino]-3-phenylpropanoic acid
CID 825996
2-[acetyl(benzyl)amino]-3-phenylpropanoic acid
CID 15325398
2-(dihydroxyamino)-3-phenylpropanoic acid
CID 22141935
(2S)-2-[chloromethyl(methyl)amino]-3-phenylpropanoic acid
CID 54255696
2-[carbonochloridoyl(methyl)amino]-3-phenylpropanoic acid
CID 154004166
CID 160513351
CID 160513351
(2S)-2-[bis(methylamino)amino]-3-phenylpropanoic acid
CID 156761837
2-[bis(phosphonomethyl)amino]-3-phenylpropanoic acid
CID 23728656
(2S)-2-[bis(sulfanyl)amino]-3-phenylpropanoic acid
CID 88617748
(2S)-2-[cyclopropyl(methyl)amino]-3-phenylpropanoic acid
CID 175818563
(2R)-2-[acetyl(chloro)amino]-3-phenylpropanoic acid
CID 142648792
2-[methyl(phenacyl)amino]-3-phenylpropanoic acid
CID 23298527

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[diphenylphosphoryl(methyl)amino]-3-phenylpropanoic acid?
The IUPAC name of (2S)-2-[diphenylphosphoryl(methyl)amino]-3-phenylpropanoic acid (CID 71387585) is (2S)-2-[diphenylphosphoryl(methyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2S)-2-[diphenylphosphoryl(methyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for (2S)-2-[diphenylphosphoryl(methyl)amino]-3-phenylpropanoic acid is CN([C@@H](Cc1ccccc1)C(=O)O)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-[diphenylphosphoryl(methyl)amino]-3-phenylpropanoic acid?
The InChIKey is AEWJPPXOVVCHSA-NRFANRHFSA-N. The full InChI is InChI=1S/C22H22NO3P/c1-23(21(22(24)25)17-18-11-5-2-6-12-18)27(26,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21H,17H2,1H3,(H,24,25)/t21-/m0/s1.
What are the key properties of (2S)-2-[diphenylphosphoryl(methyl)amino]-3-phenylpropanoic acid?
(2S)-2-[diphenylphosphoryl(methyl)amino]-3-phenylpropanoic acid has a molecular weight of 379.40 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[diphenylphosphoryl(methyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 71387585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).