[(2S)-2-(2-aminopropanoylamino)-2-phenylethyl] pyridine-3-carboxylate

C17H19N3O3 — CID 146220095

IUPAC[(2S)-2-(2-aminopropanoylamino)-2-phenylethyl] pyridine-3-carboxylate
SMILESCC(N)C(=O)N[C@H](COC(=O)c1cccnc1)c1ccccc1
InChIInChI=1S/C17H19N3O3/c1-12(18)16(21)20-15(13-6-3-2-4-7-13)11-23-17(22)14-8-5-9-19-10-14/h2-10,12,15H,11,18H2,1H3,(H,20,21)/t12?,15-/m1/s1
InChIKeyZOJQENWVTAHSES-WPZCJLIBSA-N
MW313.36 g/mol
LogP1.44
Rot. Bonds6

About [(2S)-2-(2-aminopropanoylamino)-2-phenylethyl] pyridine-3-carboxylate

[(2S)-2-(2-aminopropanoylamino)-2-phenylethyl] pyridine-3-carboxylate (PubChem CID 146220095) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is [(2S)-2-(2-aminopropanoylamino)-2-phenylethyl] pyridine-3-carboxylate.

Molecular Properties

Compound Name[(2S)-2-(2-aminopropanoylamino)-2-phenylethyl] pyridine-3-carboxylate
PubChem CID146220095
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name[(2S)-2-(2-aminopropanoylamino)-2-phenylethyl] pyridine-3-carboxylate
SMILESCC(N)C(=O)N[C@H](COC(=O)c1cccnc1)c1ccccc1
InChIInChI=1S/C17H19N3O3/c1-12(18)16(21)20-15(13-6-3-2-4-7-13)11-23-17(22)14-8-5-9-19-10-14/h2-10,12,15H,11,18H2,1H3,(H,20,21)/t12?,15-/m1/s1
InChIKeyZOJQENWVTAHSES-WPZCJLIBSA-N
XLogP1.44
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2S)-2-(2-aminopropanoylamino)-2-phenylethyl] pyridine-3-carboxylate 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

N-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-2-phenylethyl]pyridine-3-carboxamide
CID 146220042
3-(2-aminopropanoylamino)-3-phenylpropanoic acid
CID 61159315
2-amino-N-(2-hydroxy-1-phenylethyl)propanamide
CID 63183565
(2R)-2-amino-N-(3-methyl-1-phenylbutyl)propanamide
CID 78972266
(3R)-3-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanoic acid;hydrochloride
CID 129249183
(2-hydroxy-3-phenoxypropyl) pyridine-3-carboxylate
CID 11414636
2-oxopropyl pyridine-3-carboxylate
CID 69192363
[2-(2-methylpropoxycarbonyl)phenyl] pyridine-3-carboxylate
CID 2895243
N-(2-bromo-1-phenylethyl)pyridine-3-carboxamide
CID 113274720
ethyl pyridine-3-carboxylate;dihydrochloride
CID 141150900
[(2R)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] pyridine-3-carboxylate
CID 9414407
(111C)methyl pyridine-3-carboxylate
CID 11309537

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(2-aminopropanoylamino)-2-phenylethyl] pyridine-3-carboxylate?
The IUPAC name of [(2S)-2-(2-aminopropanoylamino)-2-phenylethyl] pyridine-3-carboxylate (CID 146220095) is [(2S)-2-(2-aminopropanoylamino)-2-phenylethyl] pyridine-3-carboxylate.
What is the SMILES notation for [(2S)-2-(2-aminopropanoylamino)-2-phenylethyl] pyridine-3-carboxylate?
The canonical SMILES for [(2S)-2-(2-aminopropanoylamino)-2-phenylethyl] pyridine-3-carboxylate is CC(N)C(=O)N[C@H](COC(=O)c1cccnc1)c1ccccc1.
What is the InChIKey of [(2S)-2-(2-aminopropanoylamino)-2-phenylethyl] pyridine-3-carboxylate?
The InChIKey is ZOJQENWVTAHSES-WPZCJLIBSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12(18)16(21)20-15(13-6-3-2-4-7-13)11-23-17(22)14-8-5-9-19-10-14/h2-10,12,15H,11,18H2,1H3,(H,20,21)/t12?,15-/m1/s1.
What are the key properties of [(2S)-2-(2-aminopropanoylamino)-2-phenylethyl] pyridine-3-carboxylate?
[(2S)-2-(2-aminopropanoylamino)-2-phenylethyl] pyridine-3-carboxylate has a molecular weight of 313.36 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(2-aminopropanoylamino)-2-phenylethyl] pyridine-3-carboxylate is sourced from PubChem (CID 146220095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).