ethyl (2R)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-phenylbutanoate

C22H27NO4 — CID 13345970

IUPACethyl (2R)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-phenylbutanoate
SMILESCCOC(=O)[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)OCc1ccccc1
InChIInChI=1S/C22H27NO4/c1-3-26-22(25)20(15-14-18-10-6-4-7-11-18)23-17(2)21(24)27-16-19-12-8-5-9-13-19/h4-13,17,20,23H,3,14-16H2,1-2H3/t17-,20+/m0/s1
InChIKeyKKMCJYRMPUGEEC-FXAWDEMLSA-N
MW369.46 g/mol
LogP3.27
Rot. Bonds10

About ethyl (2R)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-phenylbutanoate

ethyl (2R)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-phenylbutanoate (PubChem CID 13345970) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is ethyl (2R)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-phenylbutanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-phenylbutanoate
PubChem CID13345970
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Nameethyl (2R)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-phenylbutanoate
SMILESCCOC(=O)[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)OCc1ccccc1
InChIInChI=1S/C22H27NO4/c1-3-26-22(25)20(15-14-18-10-6-4-7-11-18)23-17(2)21(24)27-16-19-12-8-5-9-13-19/h4-13,17,20,23H,3,14-16H2,1-2H3/t17-,20+/m0/s1
InChIKeyKKMCJYRMPUGEEC-FXAWDEMLSA-N
XLogP3.27
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl (2R)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-phenylbutanoate with MolForge

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Related Compounds

ethyl 2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-4-phenylbutanoate
CID 57110707
ethyl (2S)-2-[[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]amino]pentanoate
CID 69028409
ethyl 2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]octanoate
CID 14514518
benzyl (2S)-2-[[(2R)-1-ethoxy-1-oxopropan-2-yl]amino]-4-methylpentanoate
CID 18597312
(Z)-but-2-enedioic acid;ethyl (2S)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]pentanoate;propan-2-one
CID 157334965
ethyl 3-benzylsulfanyl-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]propanoate
CID 57220112
benzyl (2S)-2-(difluoromethylamino)-4-phenylbutanoate
CID 175725657
(2S)-2-[[(2S)-1-oxo-1-phenylmethoxydecan-2-yl]amino]propanoic acid
CID 56615975
(2S)-2-[[(2S)-1-oxo-4-phenyl-1-phenylmethoxybutan-2-yl]amino]-3-phenylpropanoic acid
CID 15228253
ethyl 2-[[(2S)-1-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-4-phenylbutanoate
CID 13389811
ethyl 2-[[1-[[1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-phenylbutanoate
CID 117069150
ethyl (2S)-2-[[(2R)-1-[[(2R)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-phenylbutanoate
CID 124527339

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-phenylbutanoate?
The IUPAC name of ethyl (2R)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-phenylbutanoate (CID 13345970) is ethyl (2R)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-phenylbutanoate.
What is the SMILES notation for ethyl (2R)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-phenylbutanoate?
The canonical SMILES for ethyl (2R)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-phenylbutanoate is CCOC(=O)[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)OCc1ccccc1.
What is the InChIKey of ethyl (2R)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-phenylbutanoate?
The InChIKey is KKMCJYRMPUGEEC-FXAWDEMLSA-N. The full InChI is InChI=1S/C22H27NO4/c1-3-26-22(25)20(15-14-18-10-6-4-7-11-18)23-17(2)21(24)27-16-19-12-8-5-9-13-19/h4-13,17,20,23H,3,14-16H2,1-2H3/t17-,20+/m0/s1.
What are the key properties of ethyl (2R)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-phenylbutanoate?
ethyl (2R)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-phenylbutanoate has a molecular weight of 369.46 g/mol, XLogP of 3.27, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-phenylbutanoate is sourced from PubChem (CID 13345970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).