ethyl (2R,3S)-2-hydroxy-3-phenyl-3-[[(1S)-1-phenylethyl]amino]propanoate

C19H23NO3 — CID 134990797

IUPACethyl (2R,3S)-2-hydroxy-3-phenyl-3-[[(1S)-1-phenylethyl]amino]propanoate
SMILESCCOC(=O)[C@H](O)[C@@H](N[C@@H](C)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO3/c1-3-23-19(22)18(21)17(16-12-8-5-9-13-16)20-14(2)15-10-6-4-7-11-15/h4-14,17-18,20-21H,3H2,1-2H3/t14-,17-,18+/m0/s1
InChIKeyZSWASWPQLUJACN-JCGIZDLHSA-N
MW313.40 g/mol
LogP3.00
Rot. Bonds7

About ethyl (2R,3S)-2-hydroxy-3-phenyl-3-[[(1S)-1-phenylethyl]amino]propanoate

ethyl (2R,3S)-2-hydroxy-3-phenyl-3-[[(1S)-1-phenylethyl]amino]propanoate (PubChem CID 134990797) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is ethyl (2R,3S)-2-hydroxy-3-phenyl-3-[[(1S)-1-phenylethyl]amino]propanoate.

Molecular Properties

Compound Nameethyl (2R,3S)-2-hydroxy-3-phenyl-3-[[(1S)-1-phenylethyl]amino]propanoate
PubChem CID134990797
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Nameethyl (2R,3S)-2-hydroxy-3-phenyl-3-[[(1S)-1-phenylethyl]amino]propanoate
SMILESCCOC(=O)[C@H](O)[C@@H](N[C@@H](C)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO3/c1-3-23-19(22)18(21)17(16-12-8-5-9-13-16)20-14(2)15-10-6-4-7-11-15/h4-14,17-18,20-21H,3H2,1-2H3/t14-,17-,18+/m0/s1
InChIKeyZSWASWPQLUJACN-JCGIZDLHSA-N
XLogP3.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl (2R,3S)-2-hydroxy-3-phenyl-3-[[(1S)-1-phenylethyl]amino]propanoate with MolForge

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Related Compounds

N-Benzoyl-3-phenylisoserine, (2R,3S)-
CID 2762289
Benzenepropanoic acid, beta-(benzoylamino)-alpha-hydroxy-, methyl ester, (alphaR,betaS)-
CID 182104
(2R,3S)-3-Phenylisoserine methyl ester
CID 10176516
(2S,3R)-3-amino-2-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]-5-phenylpentanamide
CID 44381941
(2S,3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide
CID 44382028
(2S,3R)-3-amino-3-cyclohexyl-2-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]propanamide
CID 44382789
(3-Hydroxy-propylamino)-phenyl-acetic acid ethyl ester
CID 649729
Ethyl (I+-R,I2S)-I2-(benzoylamino)-I+--hydroxybenzenepropanoate
CID 9883276
(R)-littorine
CID 91820147
(S)-2-((2R,3S)-3-amino-2-hydroxy-3-phenylpropanamido)-2-phenylacetic acid hydrochloride (5e)
CID 129625707
(S)-2-((2R,3S)-3-amino-2-hydroxy-3-phenylpropanamido)-3-phenylpropanoic acid hydrochloride (5f)
CID 129625708
[2-Oxo-2-(2-phenylethylamino)ethyl] 3-acetamido-3-phenylpropanoate
CID 24980945

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3S)-2-hydroxy-3-phenyl-3-[[(1S)-1-phenylethyl]amino]propanoate?
The IUPAC name of ethyl (2R,3S)-2-hydroxy-3-phenyl-3-[[(1S)-1-phenylethyl]amino]propanoate (CID 134990797) is ethyl (2R,3S)-2-hydroxy-3-phenyl-3-[[(1S)-1-phenylethyl]amino]propanoate.
What is the SMILES notation for ethyl (2R,3S)-2-hydroxy-3-phenyl-3-[[(1S)-1-phenylethyl]amino]propanoate?
The canonical SMILES for ethyl (2R,3S)-2-hydroxy-3-phenyl-3-[[(1S)-1-phenylethyl]amino]propanoate is CCOC(=O)[C@H](O)[C@@H](N[C@@H](C)c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl (2R,3S)-2-hydroxy-3-phenyl-3-[[(1S)-1-phenylethyl]amino]propanoate?
The InChIKey is ZSWASWPQLUJACN-JCGIZDLHSA-N. The full InChI is InChI=1S/C19H23NO3/c1-3-23-19(22)18(21)17(16-12-8-5-9-13-16)20-14(2)15-10-6-4-7-11-15/h4-14,17-18,20-21H,3H2,1-2H3/t14-,17-,18+/m0/s1.
What are the key properties of ethyl (2R,3S)-2-hydroxy-3-phenyl-3-[[(1S)-1-phenylethyl]amino]propanoate?
ethyl (2R,3S)-2-hydroxy-3-phenyl-3-[[(1S)-1-phenylethyl]amino]propanoate has a molecular weight of 313.40 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3S)-2-hydroxy-3-phenyl-3-[[(1S)-1-phenylethyl]amino]propanoate is sourced from PubChem (CID 134990797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).