(2-methoxy-2-oxoethyl) (2R)-3-(4-hydroxyphenyl)-2-[(2-phenylmethoxyacetyl)amino]propanoate

C21H23NO7 — CID 124560393

IUPAC(2-methoxy-2-oxoethyl) (2R)-3-(4-hydroxyphenyl)-2-[(2-phenylmethoxyacetyl)amino]propanoate
SMILESCOC(=O)COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)COCc1ccccc1
InChIInChI=1S/C21H23NO7/c1-27-20(25)14-29-21(26)18(11-15-7-9-17(23)10-8-15)22-19(24)13-28-12-16-5-3-2-4-6-16/h2-10,18,23H,11-14H2,1H3,(H,22,24)/t18-/m1/s1
InChIKeyGRGCAVUSOOPMNI-GOSISDBHSA-N
MW401.42 g/mol
LogP1.35
Rot. Bonds10

About (2-methoxy-2-oxoethyl) (2R)-3-(4-hydroxyphenyl)-2-[(2-phenylmethoxyacetyl)amino]propanoate

(2-methoxy-2-oxoethyl) (2R)-3-(4-hydroxyphenyl)-2-[(2-phenylmethoxyacetyl)amino]propanoate (PubChem CID 124560393) has the molecular formula C21H23NO7 and a molecular weight of 401.42 g/mol. Its IUPAC name is (2-methoxy-2-oxoethyl) (2R)-3-(4-hydroxyphenyl)-2-[(2-phenylmethoxyacetyl)amino]propanoate.

Molecular Properties

Compound Name(2-methoxy-2-oxoethyl) (2R)-3-(4-hydroxyphenyl)-2-[(2-phenylmethoxyacetyl)amino]propanoate
PubChem CID124560393
Molecular FormulaC21H23NO7
Molecular Weight401.42 g/mol
Exact Mass401.15
IUPAC Name(2-methoxy-2-oxoethyl) (2R)-3-(4-hydroxyphenyl)-2-[(2-phenylmethoxyacetyl)amino]propanoate
SMILESCOC(=O)COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)COCc1ccccc1
InChIInChI=1S/C21H23NO7/c1-27-20(25)14-29-21(26)18(11-15-7-9-17(23)10-8-15)22-19(24)13-28-12-16-5-3-2-4-6-16/h2-10,18,23H,11-14H2,1H3,(H,22,24)/t18-/m1/s1
InChIKeyGRGCAVUSOOPMNI-GOSISDBHSA-N
XLogP1.35
TPSA111.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

benzyl (2S)-2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoate
CID 91977223
ethyl 3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoate
CID 11131238
benzyl 3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate
CID 13169996
benzyl (2S)-3-(4-hydroxyphenyl)-2-[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propanoylamino]propanoate
CID 170258051
ethyl 2-(3,3-diphenylpropanoylamino)-3-(4-hydroxyphenyl)propanoate
CID 18468105
benzyl (2S)-2-(decanoylamino)-3-(4-hydroxyphenyl)propanoate
CID 6709913
benzyl 3-(4-hydroxyphenyl)-2-[[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]amino]propanoate
CID 3678567
N-[(2S)-butan-2-yl]-2-phenylmethoxyacetamide
CID 95358537
(2-methoxy-2-oxoethyl) (2S)-2-[[(2S)-2-[[(2R)-3-(4-hydroxyphenyl)-2-(3-phenylpropanoylamino)propanoyl]-methylamino]-3-(4-methoxyphenyl)propanoyl]-methylamino]-3-phenylpropanoate
CID 46878813
methyl (2S)-2-[[(2R)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylpropanoate
CID 92643296
methyl (2R)-3-phenyl-2-(5-phenylmethoxypentanoylamino)propanoate
CID 170714052
methyl 2-(3-benzylsulfanylpropanoylamino)-3-(4-hydroxyphenyl)propanoate
CID 174732959

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-oxoethyl) (2R)-3-(4-hydroxyphenyl)-2-[(2-phenylmethoxyacetyl)amino]propanoate?
The IUPAC name of (2-methoxy-2-oxoethyl) (2R)-3-(4-hydroxyphenyl)-2-[(2-phenylmethoxyacetyl)amino]propanoate (CID 124560393) is (2-methoxy-2-oxoethyl) (2R)-3-(4-hydroxyphenyl)-2-[(2-phenylmethoxyacetyl)amino]propanoate.
What is the SMILES notation for (2-methoxy-2-oxoethyl) (2R)-3-(4-hydroxyphenyl)-2-[(2-phenylmethoxyacetyl)amino]propanoate?
The canonical SMILES for (2-methoxy-2-oxoethyl) (2R)-3-(4-hydroxyphenyl)-2-[(2-phenylmethoxyacetyl)amino]propanoate is COC(=O)COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)COCc1ccccc1.
What is the InChIKey of (2-methoxy-2-oxoethyl) (2R)-3-(4-hydroxyphenyl)-2-[(2-phenylmethoxyacetyl)amino]propanoate?
The InChIKey is GRGCAVUSOOPMNI-GOSISDBHSA-N. The full InChI is InChI=1S/C21H23NO7/c1-27-20(25)14-29-21(26)18(11-15-7-9-17(23)10-8-15)22-19(24)13-28-12-16-5-3-2-4-6-16/h2-10,18,23H,11-14H2,1H3,(H,22,24)/t18-/m1/s1.
What are the key properties of (2-methoxy-2-oxoethyl) (2R)-3-(4-hydroxyphenyl)-2-[(2-phenylmethoxyacetyl)amino]propanoate?
(2-methoxy-2-oxoethyl) (2R)-3-(4-hydroxyphenyl)-2-[(2-phenylmethoxyacetyl)amino]propanoate has a molecular weight of 401.42 g/mol, XLogP of 1.35, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-oxoethyl) (2R)-3-(4-hydroxyphenyl)-2-[(2-phenylmethoxyacetyl)amino]propanoate is sourced from PubChem (CID 124560393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).