methyl (2S)-2-(benzylamino)-2-pyridin-2-ylacetate

C15H16N2O2 — CID 101379126

IUPACmethyl (2S)-2-(benzylamino)-2-pyridin-2-ylacetate
SMILESCOC(=O)[C@@H](NCc1ccccc1)c1ccccn1
InChIInChI=1S/C15H16N2O2/c1-19-15(18)14(13-9-5-6-10-16-13)17-11-12-7-3-2-4-8-12/h2-10,14,17H,11H2,1H3/t14-/m0/s1
InChIKeyLGTNRSZSUXVMBT-AWEZNQCLSA-N
MW256.31 g/mol
LogP2.09
Rot. Bonds5

About methyl (2S)-2-(benzylamino)-2-pyridin-2-ylacetate

methyl (2S)-2-(benzylamino)-2-pyridin-2-ylacetate (PubChem CID 101379126) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is methyl (2S)-2-(benzylamino)-2-pyridin-2-ylacetate.

Molecular Properties

Compound Namemethyl (2S)-2-(benzylamino)-2-pyridin-2-ylacetate
PubChem CID101379126
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Namemethyl (2S)-2-(benzylamino)-2-pyridin-2-ylacetate
SMILESCOC(=O)[C@@H](NCc1ccccc1)c1ccccn1
InChIInChI=1S/C15H16N2O2/c1-19-15(18)14(13-9-5-6-10-16-13)17-11-12-7-3-2-4-8-12/h2-10,14,17H,11H2,1H3/t14-/m0/s1
InChIKeyLGTNRSZSUXVMBT-AWEZNQCLSA-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

methyl 2-(benzylamino)-2-phenylacetate;hydrochloride
CID 12677532
methyl 2-phenyl-2-(pyridin-2-ylmethylamino)acetate
CID 60647783
dimethyl 2-(benzylamino)propanedioate
CID 562185
methyl 2-(cyclopropylamino)-2-pyridin-2-ylacetate
CID 66593106
methyl (2S)-2-[[3-[[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]methyl]phenyl]methylamino]-2-phenylacetate
CID 24762008
methyl (2R)-2-amino-2-pyridin-2-ylacetate
CID 86316521
methyl 2-[(2-methoxy-3-pyridinyl)methylamino]-2-phenylacetate
CID 78993371
ethane;methyl 2-(benzylamino)propanoate
CID 91349755
methyl 2-pyridin-2-yl-3-sulfanylpropanoate
CID 117241525
methyl 2-methyl-3-pyridin-2-ylbutanoate
CID 102470935
methyl (2R)-2-(benzylamino)-3-sulfanylpropanoate
CID 21155893
methyl 3-(benzylamino)butanoate
CID 13416927

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(benzylamino)-2-pyridin-2-ylacetate?
The IUPAC name of methyl (2S)-2-(benzylamino)-2-pyridin-2-ylacetate (CID 101379126) is methyl (2S)-2-(benzylamino)-2-pyridin-2-ylacetate.
What is the SMILES notation for methyl (2S)-2-(benzylamino)-2-pyridin-2-ylacetate?
The canonical SMILES for methyl (2S)-2-(benzylamino)-2-pyridin-2-ylacetate is COC(=O)[C@@H](NCc1ccccc1)c1ccccn1.
What is the InChIKey of methyl (2S)-2-(benzylamino)-2-pyridin-2-ylacetate?
The InChIKey is LGTNRSZSUXVMBT-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-19-15(18)14(13-9-5-6-10-16-13)17-11-12-7-3-2-4-8-12/h2-10,14,17H,11H2,1H3/t14-/m0/s1.
What are the key properties of methyl (2S)-2-(benzylamino)-2-pyridin-2-ylacetate?
methyl (2S)-2-(benzylamino)-2-pyridin-2-ylacetate 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 (2S)-2-(benzylamino)-2-pyridin-2-ylacetate is sourced from PubChem (CID 101379126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).