ethyl (3R)-3-[[(1R)-2-amino-2-oxo-1-phenylethyl]amino]-3-phenylpropanoate

C19H22N2O3 — CID 16726269

IUPACethyl (3R)-3-[[(1R)-2-amino-2-oxo-1-phenylethyl]amino]-3-phenylpropanoate
SMILESCCOC(=O)C[C@@H](N[C@@H](C(N)=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22N2O3/c1-2-24-17(22)13-16(14-9-5-3-6-10-14)21-18(19(20)23)15-11-7-4-8-12-15/h3-12,16,18,21H,2,13H2,1H3,(H2,20,23)/t16-,18-/m1/s1
InChIKeyMZEMOQWIQYXCSY-SJLPKXTDSA-N
MW326.40 g/mol
LogP2.50
Rot. Bonds8

About ethyl (3R)-3-[[(1R)-2-amino-2-oxo-1-phenylethyl]amino]-3-phenylpropanoate

ethyl (3R)-3-[[(1R)-2-amino-2-oxo-1-phenylethyl]amino]-3-phenylpropanoate (PubChem CID 16726269) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is ethyl (3R)-3-[[(1R)-2-amino-2-oxo-1-phenylethyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl (3R)-3-[[(1R)-2-amino-2-oxo-1-phenylethyl]amino]-3-phenylpropanoate
PubChem CID16726269
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Nameethyl (3R)-3-[[(1R)-2-amino-2-oxo-1-phenylethyl]amino]-3-phenylpropanoate
SMILESCCOC(=O)C[C@@H](N[C@@H](C(N)=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22N2O3/c1-2-24-17(22)13-16(14-9-5-3-6-10-14)21-18(19(20)23)15-11-7-4-8-12-15/h3-12,16,18,21H,2,13H2,1H3,(H2,20,23)/t16-,18-/m1/s1
InChIKeyMZEMOQWIQYXCSY-SJLPKXTDSA-N
XLogP2.50
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl (3R)-3-[[(1R)-2-amino-2-oxo-1-phenylethyl]amino]-3-phenylpropanoate with MolForge

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Related Compounds

ethyl 3-phenyl-3-(1-phenylethylamino)propanoate
CID 76738630
ethyl 3-(benzylamino)-3-(4-iodophenyl)propanoate
CID 23067193
ethyl (3R)-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]-4-methylpentanoate
CID 102303294
ethyl 2-(1-phenylpropylamino)acetate
CID 60811471
ethyl 3-acetylsulfanyl-3-phenylpropanoate
CID 134294474
ethyl (3S)-3-hydroxy-3-phenylpropanoate
CID 853697
(2R)-2-phenyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 33398197
(2R)-2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-phenylacetamide
CID 94180432
ethyl (3S)-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]hexanoate
CID 102303295
(2S)-2-[[(2S)-1-methoxypropan-2-yl]amino]-2-phenylacetamide
CID 33406332
2-(3-methylbutan-2-ylamino)-2-phenylacetamide
CID 75524917
ethyl 3-ethylsulfanyl-3-phenylpropanoate
CID 12663216

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-[[(1R)-2-amino-2-oxo-1-phenylethyl]amino]-3-phenylpropanoate?
The IUPAC name of ethyl (3R)-3-[[(1R)-2-amino-2-oxo-1-phenylethyl]amino]-3-phenylpropanoate (CID 16726269) is ethyl (3R)-3-[[(1R)-2-amino-2-oxo-1-phenylethyl]amino]-3-phenylpropanoate.
What is the SMILES notation for ethyl (3R)-3-[[(1R)-2-amino-2-oxo-1-phenylethyl]amino]-3-phenylpropanoate?
The canonical SMILES for ethyl (3R)-3-[[(1R)-2-amino-2-oxo-1-phenylethyl]amino]-3-phenylpropanoate is CCOC(=O)C[C@@H](N[C@@H](C(N)=O)c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl (3R)-3-[[(1R)-2-amino-2-oxo-1-phenylethyl]amino]-3-phenylpropanoate?
The InChIKey is MZEMOQWIQYXCSY-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-2-24-17(22)13-16(14-9-5-3-6-10-14)21-18(19(20)23)15-11-7-4-8-12-15/h3-12,16,18,21H,2,13H2,1H3,(H2,20,23)/t16-,18-/m1/s1.
What are the key properties of ethyl (3R)-3-[[(1R)-2-amino-2-oxo-1-phenylethyl]amino]-3-phenylpropanoate?
ethyl (3R)-3-[[(1R)-2-amino-2-oxo-1-phenylethyl]amino]-3-phenylpropanoate has a molecular weight of 326.40 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-[[(1R)-2-amino-2-oxo-1-phenylethyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 16726269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).