methyl (2R)-2-[[2-(4-methoxy-2-nitrophenoxy)acetyl]amino]-3-phenylpropanoate

C19H20N2O7 — CID 9338767

IUPACmethyl (2R)-2-[[2-(4-methoxy-2-nitrophenoxy)acetyl]amino]-3-phenylpropanoate
SMILESCOC(=O)[C@@H](Cc1ccccc1)NC(=O)COc1ccc(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C19H20N2O7/c1-26-14-8-9-17(16(11-14)21(24)25)28-12-18(22)20-15(19(23)27-2)10-13-6-4-3-5-7-13/h3-9,11,15H,10,12H2,1-2H3,(H,20,22)/t15-/m1/s1
InChIKeyFMSIWJBCUWUTKO-OAHLLOKOSA-N
MW388.38 g/mol
LogP1.88
Rot. Bonds9

About methyl (2R)-2-[[2-(4-methoxy-2-nitrophenoxy)acetyl]amino]-3-phenylpropanoate

methyl (2R)-2-[[2-(4-methoxy-2-nitrophenoxy)acetyl]amino]-3-phenylpropanoate (PubChem CID 9338767) has the molecular formula C19H20N2O7 and a molecular weight of 388.38 g/mol. Its IUPAC name is methyl (2R)-2-[[2-(4-methoxy-2-nitrophenoxy)acetyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[2-(4-methoxy-2-nitrophenoxy)acetyl]amino]-3-phenylpropanoate
PubChem CID9338767
Molecular FormulaC19H20N2O7
Molecular Weight388.38 g/mol
Exact Mass388.13
IUPAC Namemethyl (2R)-2-[[2-(4-methoxy-2-nitrophenoxy)acetyl]amino]-3-phenylpropanoate
SMILESCOC(=O)[C@@H](Cc1ccccc1)NC(=O)COc1ccc(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C19H20N2O7/c1-26-14-8-9-17(16(11-14)21(24)25)28-12-18(22)20-15(19(23)27-2)10-13-6-4-3-5-7-13/h3-9,11,15H,10,12H2,1-2H3,(H,20,22)/t15-/m1/s1
InChIKeyFMSIWJBCUWUTKO-OAHLLOKOSA-N
XLogP1.88
TPSA117.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxy-2-nitrophenoxy)-N-(1-phenylethyl)acetamide
CID 18076412
methyl 2-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate
CID 17177933
N-butan-2-yl-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 78487834
methyl (2R)-2-[[2-(3-nitrophenoxy)acetyl]amino]-3-phenylpropanoate
CID 8587328
methyl 2-[[2-[2-(2-nitrophenyl)acetyl]oxyacetyl]amino]-3-phenylpropanoate
CID 46829155
N-ethyl-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 35965140
N-[(1S)-1-(furan-2-yl)ethyl]-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 9338576
N-[(2R)-heptan-2-yl]-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 9338696
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-methoxy-3-nitrobenzoate
CID 8708447
N-benzyl-2-(4-methoxy-2-nitrophenoxy)-N-propan-2-ylacetamide
CID 7473394
[2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] 4-methyl-3-nitrobenzoate
CID 9339946
N-(2,6-difluorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 7473647

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[2-(4-methoxy-2-nitrophenoxy)acetyl]amino]-3-phenylpropanoate?
The IUPAC name of methyl (2R)-2-[[2-(4-methoxy-2-nitrophenoxy)acetyl]amino]-3-phenylpropanoate (CID 9338767) is methyl (2R)-2-[[2-(4-methoxy-2-nitrophenoxy)acetyl]amino]-3-phenylpropanoate.
What is the SMILES notation for methyl (2R)-2-[[2-(4-methoxy-2-nitrophenoxy)acetyl]amino]-3-phenylpropanoate?
The canonical SMILES for methyl (2R)-2-[[2-(4-methoxy-2-nitrophenoxy)acetyl]amino]-3-phenylpropanoate is COC(=O)[C@@H](Cc1ccccc1)NC(=O)COc1ccc(OC)cc1[N+](=O)[O-].
What is the InChIKey of methyl (2R)-2-[[2-(4-methoxy-2-nitrophenoxy)acetyl]amino]-3-phenylpropanoate?
The InChIKey is FMSIWJBCUWUTKO-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20N2O7/c1-26-14-8-9-17(16(11-14)21(24)25)28-12-18(22)20-15(19(23)27-2)10-13-6-4-3-5-7-13/h3-9,11,15H,10,12H2,1-2H3,(H,20,22)/t15-/m1/s1.
What are the key properties of methyl (2R)-2-[[2-(4-methoxy-2-nitrophenoxy)acetyl]amino]-3-phenylpropanoate?
methyl (2R)-2-[[2-(4-methoxy-2-nitrophenoxy)acetyl]amino]-3-phenylpropanoate has a molecular weight of 388.38 g/mol, XLogP of 1.88, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[2-(4-methoxy-2-nitrophenoxy)acetyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 9338767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).