pyridin-2-ylmethyl (3S)-5-amino-5-oxo-3-phenylpentanoate

C17H18N2O3 — CID 7228782

IUPACpyridin-2-ylmethyl (3S)-5-amino-5-oxo-3-phenylpentanoate
SMILESNC(=O)C[C@@H](CC(=O)OCc1ccccn1)c1ccccc1
InChIInChI=1S/C17H18N2O3/c18-16(20)10-14(13-6-2-1-3-7-13)11-17(21)22-12-15-8-4-5-9-19-15/h1-9,14H,10-12H2,(H2,18,20)/t14-/m0/s1
InChIKeyPONOHDGIZVQHNO-AWEZNQCLSA-N
MW298.34 g/mol
LogP2.17
Rot. Bonds7

About pyridin-2-ylmethyl (3S)-5-amino-5-oxo-3-phenylpentanoate

pyridin-2-ylmethyl (3S)-5-amino-5-oxo-3-phenylpentanoate (PubChem CID 7228782) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is pyridin-2-ylmethyl (3S)-5-amino-5-oxo-3-phenylpentanoate.

Molecular Properties

Compound Namepyridin-2-ylmethyl (3S)-5-amino-5-oxo-3-phenylpentanoate
PubChem CID7228782
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Namepyridin-2-ylmethyl (3S)-5-amino-5-oxo-3-phenylpentanoate
SMILESNC(=O)C[C@@H](CC(=O)OCc1ccccn1)c1ccccc1
InChIInChI=1S/C17H18N2O3/c18-16(20)10-14(13-6-2-1-3-7-13)11-17(21)22-12-15-8-4-5-9-19-15/h1-9,14H,10-12H2,(H2,18,20)/t14-/m0/s1
InChIKeyPONOHDGIZVQHNO-AWEZNQCLSA-N
XLogP2.17
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze pyridin-2-ylmethyl (3S)-5-amino-5-oxo-3-phenylpentanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl (3S)-5-amino-5-oxo-3-phenylpentanoate?
The IUPAC name of pyridin-2-ylmethyl (3S)-5-amino-5-oxo-3-phenylpentanoate (CID 7228782) is pyridin-2-ylmethyl (3S)-5-amino-5-oxo-3-phenylpentanoate.
What is the SMILES notation for pyridin-2-ylmethyl (3S)-5-amino-5-oxo-3-phenylpentanoate?
The canonical SMILES for pyridin-2-ylmethyl (3S)-5-amino-5-oxo-3-phenylpentanoate is NC(=O)C[C@@H](CC(=O)OCc1ccccn1)c1ccccc1.
What is the InChIKey of pyridin-2-ylmethyl (3S)-5-amino-5-oxo-3-phenylpentanoate?
The InChIKey is PONOHDGIZVQHNO-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18N2O3/c18-16(20)10-14(13-6-2-1-3-7-13)11-17(21)22-12-15-8-4-5-9-19-15/h1-9,14H,10-12H2,(H2,18,20)/t14-/m0/s1.
What are the key properties of pyridin-2-ylmethyl (3S)-5-amino-5-oxo-3-phenylpentanoate?
pyridin-2-ylmethyl (3S)-5-amino-5-oxo-3-phenylpentanoate has a molecular weight of 298.34 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl (3S)-5-amino-5-oxo-3-phenylpentanoate is sourced from PubChem (CID 7228782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).