benzyl (2R)-2-amino-2-pyridin-2-ylpropanoate

C15H16N2O2 — CID 91437658

IUPACbenzyl (2R)-2-amino-2-pyridin-2-ylpropanoate
SMILESC[C@](N)(C(=O)OCc1ccccc1)c1ccccn1
InChIInChI=1S/C15H16N2O2/c1-15(16,13-9-5-6-10-17-13)14(18)19-11-12-7-3-2-4-8-12/h2-10H,11,16H2,1H3/t15-/m1/s1
InChIKeyFJLNAWBYOYWEGT-OAHLLOKOSA-N
MW256.31 g/mol
LogP2.00
Rot. Bonds4

About benzyl (2R)-2-amino-2-pyridin-2-ylpropanoate

benzyl (2R)-2-amino-2-pyridin-2-ylpropanoate (PubChem CID 91437658) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is benzyl (2R)-2-amino-2-pyridin-2-ylpropanoate.

Molecular Properties

Compound Namebenzyl (2R)-2-amino-2-pyridin-2-ylpropanoate
PubChem CID91437658
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Namebenzyl (2R)-2-amino-2-pyridin-2-ylpropanoate
SMILESC[C@](N)(C(=O)OCc1ccccc1)c1ccccn1
InChIInChI=1S/C15H16N2O2/c1-15(16,13-9-5-6-10-17-13)14(18)19-11-12-7-3-2-4-8-12/h2-10H,11,16H2,1H3/t15-/m1/s1
InChIKeyFJLNAWBYOYWEGT-OAHLLOKOSA-N
XLogP2.00
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl (2R)-2-amino-2-pyridin-2-ylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl 2-(ethylamino)-2,2-dipyridin-2-ylacetate
CID 54036342
benzyl 2-amino-2-phenylpropanoate
CID 54322564
2-amino-2-pyridin-2-ylpropanoic acid
CID 4241373
2-[methyl(phenylmethoxycarbonyl)amino]-2-pyridin-2-ylpropanoic acid
CID 103664078
benzyl 2-amino-2-hydroxypropanoate
CID 67630480
benzyl 2-methyl-2-(1,3-thiazol-4-yl)propanoate
CID 167247787
benzyl (2S)-2-amino-2-methylbutanoate
CID 15660566
[(2R)-2-amino-2-pyridin-2-ylpropanoyl] (2R)-2,5-diaminopentanoate
CID 91238428
benzyl 4-amino-2,2-dimethyl-4-oxobutanoate
CID 66875161
benzyl 3-hydroxy-2,3-dimethyl-2-silylbutanoate
CID 174747331
benzyl 2-amino-2-methylpentanoate
CID 61276990
benzyl 3-hydrazinyl-2,2-dimethyl-3-oxopropanoate
CID 134573796

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-amino-2-pyridin-2-ylpropanoate?
The IUPAC name of benzyl (2R)-2-amino-2-pyridin-2-ylpropanoate (CID 91437658) is benzyl (2R)-2-amino-2-pyridin-2-ylpropanoate.
What is the SMILES notation for benzyl (2R)-2-amino-2-pyridin-2-ylpropanoate?
The canonical SMILES for benzyl (2R)-2-amino-2-pyridin-2-ylpropanoate is C[C@](N)(C(=O)OCc1ccccc1)c1ccccn1.
What is the InChIKey of benzyl (2R)-2-amino-2-pyridin-2-ylpropanoate?
The InChIKey is FJLNAWBYOYWEGT-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-15(16,13-9-5-6-10-17-13)14(18)19-11-12-7-3-2-4-8-12/h2-10H,11,16H2,1H3/t15-/m1/s1.
What are the key properties of benzyl (2R)-2-amino-2-pyridin-2-ylpropanoate?
benzyl (2R)-2-amino-2-pyridin-2-ylpropanoate has a molecular weight of 256.31 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-amino-2-pyridin-2-ylpropanoate is sourced from PubChem (CID 91437658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).