(2S)-2-[[diphenyl(phosphono)methyl]amino]-3-(4-phenylphenyl)propanoic acid

C28H26NO5P — CID 70081809

IUPAC(2S)-2-[[diphenyl(phosphono)methyl]amino]-3-(4-phenylphenyl)propanoic acid
SMILESO=C(O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(c1ccccc1)(c1ccccc1)P(=O)(O)O
InChIInChI=1S/C28H26NO5P/c30-27(31)26(20-21-16-18-23(19-17-21)22-10-4-1-5-11-22)29-28(35(32,33)34,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-19,26,29H,20H2,(H,30,31)(H2,32,33,34)/t26-/m0/s1
InChIKeyMPSSWWVXFDMGKV-SANMLTNESA-N
MW487.49 g/mol
LogP5.02
Rot. Bonds9

About (2S)-2-[[diphenyl(phosphono)methyl]amino]-3-(4-phenylphenyl)propanoic acid

(2S)-2-[[diphenyl(phosphono)methyl]amino]-3-(4-phenylphenyl)propanoic acid (PubChem CID 70081809) has the molecular formula C28H26NO5P and a molecular weight of 487.49 g/mol. Its IUPAC name is (2S)-2-[[diphenyl(phosphono)methyl]amino]-3-(4-phenylphenyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[diphenyl(phosphono)methyl]amino]-3-(4-phenylphenyl)propanoic acid
PubChem CID70081809
Molecular FormulaC28H26NO5P
Molecular Weight487.49 g/mol
Exact Mass487.15
IUPAC Name(2S)-2-[[diphenyl(phosphono)methyl]amino]-3-(4-phenylphenyl)propanoic acid
SMILESO=C(O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(c1ccccc1)(c1ccccc1)P(=O)(O)O
InChIInChI=1S/C28H26NO5P/c30-27(31)26(20-21-16-18-23(19-17-21)22-10-4-1-5-11-22)29-28(35(32,33)34,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-19,26,29H,20H2,(H,30,31)(H2,32,33,34)/t26-/m0/s1
InChIKeyMPSSWWVXFDMGKV-SANMLTNESA-N
XLogP5.02
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.49
LogP ≤ 55.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(benzylamino)-3-(4-phenylphenyl)propanoic acid
CID 121475383
2-(carbamoylamino)-3-(4-phenylphenyl)propanoic acid
CID 102401839
(2S)-3-(4-phenylphenyl)-2-[[4-[3-(trifluoromethyl)phenyl]benzoyl]amino]propanoic acid
CID 58718027
(2S)-2-(tritylamino)-3-(4-trityloxyphenyl)propanoic acid
CID 15725604
(2S)-2-(tert-butylamino)-3-phenylpropanoic acid;hydrochloride
CID 66836735
2-(2-methylpropanoylamino)-3-(4-phenylphenyl)propanoic acid
CID 46842238
(2S)-2-[[(2S)-3-methyl-2-(phosphonomethylamino)butanoyl]amino]-3-(4-phenylphenyl)propanoic acid
CID 10071569
(2S)-2-[[4-[3,5-bis(trifluoromethyl)phenyl]benzoyl]amino]-3-(4-phenylphenyl)propanoic acid
CID 58717566
(2S)-2-[[(2S)-2-(methylamino)-3-(4-phenylphenyl)propanoyl]amino]-3-(4-phenylphenyl)propanoic acid
CID 175824879
2-amino-3-(4-phenylphenyl)propanoic acid;(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
CID 66615741
(2S)-2-[[(2S)-3-methyl-2-sulfanylbutanoyl]amino]-3-(4-phenylphenyl)propanoic acid
CID 25033280
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylphenyl)propanoic acid
CID 4623908

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[diphenyl(phosphono)methyl]amino]-3-(4-phenylphenyl)propanoic acid?
The IUPAC name of (2S)-2-[[diphenyl(phosphono)methyl]amino]-3-(4-phenylphenyl)propanoic acid (CID 70081809) is (2S)-2-[[diphenyl(phosphono)methyl]amino]-3-(4-phenylphenyl)propanoic acid.
What is the SMILES notation for (2S)-2-[[diphenyl(phosphono)methyl]amino]-3-(4-phenylphenyl)propanoic acid?
The canonical SMILES for (2S)-2-[[diphenyl(phosphono)methyl]amino]-3-(4-phenylphenyl)propanoic acid is O=C(O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(c1ccccc1)(c1ccccc1)P(=O)(O)O.
What is the InChIKey of (2S)-2-[[diphenyl(phosphono)methyl]amino]-3-(4-phenylphenyl)propanoic acid?
The InChIKey is MPSSWWVXFDMGKV-SANMLTNESA-N. The full InChI is InChI=1S/C28H26NO5P/c30-27(31)26(20-21-16-18-23(19-17-21)22-10-4-1-5-11-22)29-28(35(32,33)34,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-19,26,29H,20H2,(H,30,31)(H2,32,33,34)/t26-/m0/s1.
What are the key properties of (2S)-2-[[diphenyl(phosphono)methyl]amino]-3-(4-phenylphenyl)propanoic acid?
(2S)-2-[[diphenyl(phosphono)methyl]amino]-3-(4-phenylphenyl)propanoic acid has a molecular weight of 487.49 g/mol, XLogP of 5.02, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[diphenyl(phosphono)methyl]amino]-3-(4-phenylphenyl)propanoic acid is sourced from PubChem (CID 70081809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).