methyl 2-phenyl-2-(pyridin-2-ylmethylamino)acetate

C15H16N2O2 — CID 60647783

IUPACmethyl 2-phenyl-2-(pyridin-2-ylmethylamino)acetate
SMILESCOC(=O)C(NCc1ccccn1)c1ccccc1
InChIInChI=1S/C15H16N2O2/c1-19-15(18)14(12-7-3-2-4-8-12)17-11-13-9-5-6-10-16-13/h2-10,14,17H,11H2,1H3
InChIKeyZRVPDKVSFBHLNA-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.09
Rot. Bonds5

About methyl 2-phenyl-2-(pyridin-2-ylmethylamino)acetate

methyl 2-phenyl-2-(pyridin-2-ylmethylamino)acetate (PubChem CID 60647783) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is methyl 2-phenyl-2-(pyridin-2-ylmethylamino)acetate.

Molecular Properties

Compound Namemethyl 2-phenyl-2-(pyridin-2-ylmethylamino)acetate
PubChem CID60647783
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Namemethyl 2-phenyl-2-(pyridin-2-ylmethylamino)acetate
SMILESCOC(=O)C(NCc1ccccn1)c1ccccc1
InChIInChI=1S/C15H16N2O2/c1-19-15(18)14(12-7-3-2-4-8-12)17-11-13-9-5-6-10-16-13/h2-10,14,17H,11H2,1H3
InChIKeyZRVPDKVSFBHLNA-UHFFFAOYSA-N
XLogP2.09
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl 2-[(2-cyano-3-pyridinyl)methylamino]-2-phenylacetate
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methyl (2S)-2-[[3-[[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]methyl]phenyl]methylamino]-2-phenylacetate
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methyl (2S)-2-phenyl-2-(pyridin-2-ylamino)acetate
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methyl (2S)-2-(benzylamino)-2-pyridin-2-ylacetate
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Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-2-(pyridin-2-ylmethylamino)acetate?
The IUPAC name of methyl 2-phenyl-2-(pyridin-2-ylmethylamino)acetate (CID 60647783) is methyl 2-phenyl-2-(pyridin-2-ylmethylamino)acetate.
What is the SMILES notation for methyl 2-phenyl-2-(pyridin-2-ylmethylamino)acetate?
The canonical SMILES for methyl 2-phenyl-2-(pyridin-2-ylmethylamino)acetate is COC(=O)C(NCc1ccccn1)c1ccccc1.
What is the InChIKey of methyl 2-phenyl-2-(pyridin-2-ylmethylamino)acetate?
The InChIKey is ZRVPDKVSFBHLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-19-15(18)14(12-7-3-2-4-8-12)17-11-13-9-5-6-10-16-13/h2-10,14,17H,11H2,1H3.
What are the key properties of methyl 2-phenyl-2-(pyridin-2-ylmethylamino)acetate?
methyl 2-phenyl-2-(pyridin-2-ylmethylamino)acetate has a molecular weight of 256.31 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-2-(pyridin-2-ylmethylamino)acetate is sourced from PubChem (CID 60647783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).