methyl (2S)-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanoate

C24H23NO3 — CID 6992952

IUPACmethyl (2S)-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO3/c1-28-24(27)21(17-18-11-5-2-6-12-18)25-23(26)22(19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21-22H,17H2,1H3,(H,25,26)/t21-/m0/s1
InChIKeyGBNGNTUQPHZKKX-NRFANRHFSA-N
MW373.45 g/mol
LogP3.72
Rot. Bonds7

About methyl (2S)-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanoate

methyl (2S)-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanoate (PubChem CID 6992952) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is methyl (2S)-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanoate
PubChem CID6992952
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Namemethyl (2S)-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO3/c1-28-24(27)21(17-18-11-5-2-6-12-18)25-23(26)22(19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21-22H,17H2,1H3,(H,25,26)/t21-/m0/s1
InChIKeyGBNGNTUQPHZKKX-NRFANRHFSA-N
XLogP3.72
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate
CID 10663892
ethyl (2S)-2-[[(2S)-2-[(2,2-diphenylacetyl)amino]-4-methylpentanoyl]amino]-3-phenylpropanoate
CID 131719396
(2S)-N-(cyanomethyl)-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanamide
CID 10949332
methyl (2S)-2-[[(2S)-3-amino-2-hydroxypropanoyl]amino]-3-phenylpropanoate
CID 129012240
(3R)-3-amino-4-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
CID 6992061
(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamothioic S-acid
CID 89345339
(3S)-3-(carboxyamino)-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
CID 18604997
methyl (2S)-2-[[(2S)-2-acetamidopropanoyl]amino]-3-phenylpropanoate
CID 11140872
methyl (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-phenylpropanoate;hydrochloride
CID 67718842
methyl (2S)-2-[[(2R)-2-amino-4-phenylbutanoyl]amino]-3-phenylpropanoate
CID 10807081
CID 88626910
CID 88626910
methyl 3-[[(2S)-2-[(2,2-diphenylacetyl)amino]-4-methylpentanoyl]amino]-2-oxo-4-phenylbutanoate
CID 24901430

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanoate?
The IUPAC name of methyl (2S)-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanoate (CID 6992952) is methyl (2S)-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanoate.
What is the SMILES notation for methyl (2S)-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanoate?
The canonical SMILES for methyl (2S)-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanoate is COC(=O)[C@H](Cc1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl (2S)-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanoate?
The InChIKey is GBNGNTUQPHZKKX-NRFANRHFSA-N. The full InChI is InChI=1S/C24H23NO3/c1-28-24(27)21(17-18-11-5-2-6-12-18)25-23(26)22(19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21-22H,17H2,1H3,(H,25,26)/t21-/m0/s1.
What are the key properties of methyl (2S)-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanoate?
methyl (2S)-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanoate has a molecular weight of 373.45 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 6992952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).