methyl (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-2-phenylpropanoate

C19H21NO5 — CID 95271743

IUPACmethyl (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-2-phenylpropanoate
SMILESCOC(=O)[C@@](C)(NC(=O)COc1ccccc1OC)c1ccccc1
InChIInChI=1S/C19H21NO5/c1-19(18(22)24-3,14-9-5-4-6-10-14)20-17(21)13-25-16-12-8-7-11-15(16)23-2/h4-12H,13H2,1-3H3,(H,20,21)/t19-/m0/s1
InChIKeyBHIRYVPXCZIRBB-IBGZPJMESA-N
MW343.38 g/mol
LogP2.28
Rot. Bonds7

About methyl (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-2-phenylpropanoate

methyl (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-2-phenylpropanoate (PubChem CID 95271743) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is methyl (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-2-phenylpropanoate
PubChem CID95271743
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Namemethyl (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-2-phenylpropanoate
SMILESCOC(=O)[C@@](C)(NC(=O)COc1ccccc1OC)c1ccccc1
InChIInChI=1S/C19H21NO5/c1-19(18(22)24-3,14-9-5-4-6-10-14)20-17(21)13-25-16-12-8-7-11-15(16)23-2/h4-12H,13H2,1-3H3,(H,20,21)/t19-/m0/s1
InChIKeyBHIRYVPXCZIRBB-IBGZPJMESA-N
XLogP2.28
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-(2-methoxyphenoxy)acetyl]amino]-2-methylpropanoate
CID 30886774
N-tert-butyl-2-(2-methoxyphenoxy)acetamide
CID 922262
2-(4-tert-butylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 4984397
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate
CID 15384695
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 113091617
2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-2-phenylpropanoic acid
CID 115949251
2-(2-methoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 675575
(2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 746811
5-[[2-(2-methoxyphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid
CID 880340
(3R)-3-(4-tert-butylphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 7045026
[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 8568225
3-(4-tert-butylphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 3992171

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-2-phenylpropanoate?
The IUPAC name of methyl (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-2-phenylpropanoate (CID 95271743) is methyl (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-2-phenylpropanoate.
What is the SMILES notation for methyl (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-2-phenylpropanoate?
The canonical SMILES for methyl (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-2-phenylpropanoate is COC(=O)[C@@](C)(NC(=O)COc1ccccc1OC)c1ccccc1.
What is the InChIKey of methyl (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-2-phenylpropanoate?
The InChIKey is BHIRYVPXCZIRBB-IBGZPJMESA-N. The full InChI is InChI=1S/C19H21NO5/c1-19(18(22)24-3,14-9-5-4-6-10-14)20-17(21)13-25-16-12-8-7-11-15(16)23-2/h4-12H,13H2,1-3H3,(H,20,21)/t19-/m0/s1.
What are the key properties of methyl (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-2-phenylpropanoate?
methyl (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-2-phenylpropanoate has a molecular weight of 343.38 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-2-phenylpropanoate is sourced from PubChem (CID 95271743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).