methyl (2R)-3-hydroxy-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]propanoate

C19H21NO6 — CID 9277684

IUPACmethyl (2R)-3-hydroxy-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]propanoate
SMILESCOC(=O)[C@@H](CO)NC(=O)COc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H21NO6/c1-24-19(23)17(11-21)20-18(22)13-26-16-9-7-15(8-10-16)25-12-14-5-3-2-4-6-14/h2-10,17,21H,11-13H2,1H3,(H,20,22)/t17-/m1/s1
InChIKeyIENGYGYAYRTGNY-QGZVFWFLSA-N
MW359.38 g/mol
LogP1.29
Rot. Bonds9

About methyl (2R)-3-hydroxy-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]propanoate

methyl (2R)-3-hydroxy-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]propanoate (PubChem CID 9277684) has the molecular formula C19H21NO6 and a molecular weight of 359.38 g/mol. Its IUPAC name is methyl (2R)-3-hydroxy-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-3-hydroxy-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]propanoate
PubChem CID9277684
Molecular FormulaC19H21NO6
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Namemethyl (2R)-3-hydroxy-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]propanoate
SMILESCOC(=O)[C@@H](CO)NC(=O)COc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H21NO6/c1-24-19(23)17(11-21)20-18(22)13-26-16-9-7-15(8-10-16)25-12-14-5-3-2-4-6-14/h2-10,17,21H,11-13H2,1H3,(H,20,22)/t17-/m1/s1
InChIKeyIENGYGYAYRTGNY-QGZVFWFLSA-N
XLogP1.29
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-3-oxo-1-phenylbutan-2-yl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7950524
methyl 2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-hydroxypropanoate
CID 43405748
methyl (2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate
CID 6999535
(2S)-2-methoxy-3-[4-[2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethoxy]phenyl]propanoic acid
CID 58646642
methyl 3-hydroxy-2-(3-phenylpropanoylamino)propanoate
CID 19957018
methyl (2S)-2-(hydroxyamino)-3-(4-phenylmethoxyphenyl)propanoate
CID 10968626
2-cyclopropyl-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]acetic acid
CID 119213473
N-carbamoyl-2-(4-phenylmethoxyphenoxy)acetamide
CID 7950498
methyl (2S)-2-[[5-oxo-5-(4-phenylmethoxyanilino)pentanoyl]amino]-3-phenylpropanoate
CID 41263642
methyl 2-(4-phenylmethoxyphenoxy)propanoate
CID 13093988
methyl 2-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]-3-phenylpropanoate
CID 17177937
methyl (2R)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-3-phenylpropanoate
CID 9229576

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-hydroxy-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]propanoate?
The IUPAC name of methyl (2R)-3-hydroxy-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]propanoate (CID 9277684) is methyl (2R)-3-hydroxy-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]propanoate.
What is the SMILES notation for methyl (2R)-3-hydroxy-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]propanoate?
The canonical SMILES for methyl (2R)-3-hydroxy-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]propanoate is COC(=O)[C@@H](CO)NC(=O)COc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of methyl (2R)-3-hydroxy-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]propanoate?
The InChIKey is IENGYGYAYRTGNY-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21NO6/c1-24-19(23)17(11-21)20-18(22)13-26-16-9-7-15(8-10-16)25-12-14-5-3-2-4-6-14/h2-10,17,21H,11-13H2,1H3,(H,20,22)/t17-/m1/s1.
What are the key properties of methyl (2R)-3-hydroxy-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]propanoate?
methyl (2R)-3-hydroxy-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]propanoate has a molecular weight of 359.38 g/mol, XLogP of 1.29, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-hydroxy-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]propanoate is sourced from PubChem (CID 9277684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).