methyl (2S)-2-[(3-oxo-3-phenylpropyl)amino]-2-phenylacetate

C18H19NO3 — CID 11770950

IUPACmethyl (2S)-2-[(3-oxo-3-phenylpropyl)amino]-2-phenylacetate
SMILESCOC(=O)[C@@H](NCCC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-22-18(21)17(15-10-6-3-7-11-15)19-13-12-16(20)14-8-4-2-5-9-14/h2-11,17,19H,12-13H2,1H3/t17-/m0/s1
InChIKeyWYQBAEOOYQTPMT-KRWDZBQOSA-N
MW297.35 g/mol
LogP2.76
Rot. Bonds7

About methyl (2S)-2-[(3-oxo-3-phenylpropyl)amino]-2-phenylacetate

methyl (2S)-2-[(3-oxo-3-phenylpropyl)amino]-2-phenylacetate (PubChem CID 11770950) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is methyl (2S)-2-[(3-oxo-3-phenylpropyl)amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl (2S)-2-[(3-oxo-3-phenylpropyl)amino]-2-phenylacetate
PubChem CID11770950
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Namemethyl (2S)-2-[(3-oxo-3-phenylpropyl)amino]-2-phenylacetate
SMILESCOC(=O)[C@@H](NCCC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-22-18(21)17(15-10-6-3-7-11-15)19-13-12-16(20)14-8-4-2-5-9-14/h2-11,17,19H,12-13H2,1H3/t17-/m0/s1
InChIKeyWYQBAEOOYQTPMT-KRWDZBQOSA-N
XLogP2.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-[(4-oxo-4-phenylbutanoyl)amino]-2-phenylacetate
CID 95288517
methyl 2-[2-(tert-butylamino)ethylamino]-2-phenylacetate
CID 107445566
3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-phenylpropan-1-one
CID 122190791
ethyl (2S)-2-[(3-oxo-3-phenylpropyl)amino]propanoate
CID 2069021
methyl 2-(4-methylsulfanylbutylamino)-2-phenylacetate
CID 103087976
methyl 2-(3-ethoxypropylamino)-2-phenylacetate
CID 60647695
methyl 2-phenyl-2-[3-(propan-2-ylamino)propanoylamino]acetate
CID 62111192
methyl 2-(benzylamino)-2-phenylacetate;hydrochloride
CID 12677532
methyl 2-(2-tert-butylsulfonylethylamino)-2-phenylacetate
CID 106723580
methyl 2-[2-(3-methylbutoxy)ethylamino]-2-phenylacetate
CID 62109331
methyl 2-[(3-cyano-3-methylbutyl)amino]-2-phenylacetate
CID 65248418
dimethyl 2-(3-oxo-3-phenylpropyl)propanedioate
CID 13380846

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(3-oxo-3-phenylpropyl)amino]-2-phenylacetate?
The IUPAC name of methyl (2S)-2-[(3-oxo-3-phenylpropyl)amino]-2-phenylacetate (CID 11770950) is methyl (2S)-2-[(3-oxo-3-phenylpropyl)amino]-2-phenylacetate.
What is the SMILES notation for methyl (2S)-2-[(3-oxo-3-phenylpropyl)amino]-2-phenylacetate?
The canonical SMILES for methyl (2S)-2-[(3-oxo-3-phenylpropyl)amino]-2-phenylacetate is COC(=O)[C@@H](NCCC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of methyl (2S)-2-[(3-oxo-3-phenylpropyl)amino]-2-phenylacetate?
The InChIKey is WYQBAEOOYQTPMT-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19NO3/c1-22-18(21)17(15-10-6-3-7-11-15)19-13-12-16(20)14-8-4-2-5-9-14/h2-11,17,19H,12-13H2,1H3/t17-/m0/s1.
What are the key properties of methyl (2S)-2-[(3-oxo-3-phenylpropyl)amino]-2-phenylacetate?
methyl (2S)-2-[(3-oxo-3-phenylpropyl)amino]-2-phenylacetate has a molecular weight of 297.35 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(3-oxo-3-phenylpropyl)amino]-2-phenylacetate is sourced from PubChem (CID 11770950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).