methyl (2S)-2-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]-2-phenylacetate

C18H20N2O5 — CID 94817951

IUPACmethyl (2S)-2-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]-2-phenylacetate
SMILESCOCCOc1ncccc1C(=O)N[C@H](C(=O)OC)c1ccccc1
InChIInChI=1S/C18H20N2O5/c1-23-11-12-25-17-14(9-6-10-19-17)16(21)20-15(18(22)24-2)13-7-4-3-5-8-13/h3-10,15H,11-12H2,1-2H3,(H,20,21)/t15-/m0/s1
InChIKeyNCXGVTADDWGHRP-HNNXBMFYSA-N
MW344.37 g/mol
LogP1.75
Rot. Bonds8

About methyl (2S)-2-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]-2-phenylacetate

methyl (2S)-2-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]-2-phenylacetate (PubChem CID 94817951) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is methyl (2S)-2-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl (2S)-2-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]-2-phenylacetate
PubChem CID94817951
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Namemethyl (2S)-2-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]-2-phenylacetate
SMILESCOCCOc1ncccc1C(=O)N[C@H](C(=O)OC)c1ccccc1
InChIInChI=1S/C18H20N2O5/c1-23-11-12-25-17-14(9-6-10-19-17)16(21)20-15(18(22)24-2)13-7-4-3-5-8-13/h3-10,15H,11-12H2,1-2H3,(H,20,21)/t15-/m0/s1
InChIKeyNCXGVTADDWGHRP-HNNXBMFYSA-N
XLogP1.75
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl (2R)-2-[[2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoyl]benzoyl]amino]-2-phenylacetate
CID 26791246
methyl 2-[(2-aminobenzoyl)amino]-2-phenylacetate
CID 62109453
methyl 2-[(3-hydroxypyridine-2-carbonyl)amino]-2-phenylacetate
CID 62109864
methyl 2-[(3-aminopyridine-2-carbonyl)amino]-2-phenylacetate
CID 104742175
methyl 3-hydroxy-2-[(2-methoxypyridine-3-carbonyl)amino]propanoate
CID 43423436
methyl 2-[(2-methoxy-3-pyridinyl)methylamino]-2-phenylacetate
CID 78993371
3-[(2-methoxypyridine-3-carbonyl)amino]butanoic acid
CID 43360879
4,4,4-trifluoro-3-[(2-methoxypyridine-3-carbonyl)amino]butanoic acid
CID 138057760
methyl 2-phenyl-2-[(2-pyridin-4-ylacetyl)amino]acetate
CID 62109189
methyl (2S)-2-phenyl-2-(pyrimidin-2-ylamino)acetate
CID 94357367
methyl 2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]-2-phenylacetate
CID 62109188
methyl 2-phenyl-2-(pyrazine-2-carbonylamino)acetate
CID 12580941

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]-2-phenylacetate?
The IUPAC name of methyl (2S)-2-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]-2-phenylacetate (CID 94817951) is methyl (2S)-2-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]-2-phenylacetate.
What is the SMILES notation for methyl (2S)-2-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]-2-phenylacetate?
The canonical SMILES for methyl (2S)-2-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]-2-phenylacetate is COCCOc1ncccc1C(=O)N[C@H](C(=O)OC)c1ccccc1.
What is the InChIKey of methyl (2S)-2-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]-2-phenylacetate?
The InChIKey is NCXGVTADDWGHRP-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-23-11-12-25-17-14(9-6-10-19-17)16(21)20-15(18(22)24-2)13-7-4-3-5-8-13/h3-10,15H,11-12H2,1-2H3,(H,20,21)/t15-/m0/s1.
What are the key properties of methyl (2S)-2-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]-2-phenylacetate?
methyl (2S)-2-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]-2-phenylacetate has a molecular weight of 344.37 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]-2-phenylacetate is sourced from PubChem (CID 94817951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).