benzyl (2S)-2-[[2-(3-hydroxy-2-oxo-1-pyridinyl)acetyl]amino]-3-methylbutanoate

C19H22N2O5 — CID 155512116

IUPACbenzyl (2S)-2-[[2-(3-hydroxy-2-oxo-1-pyridinyl)acetyl]amino]-3-methylbutanoate
SMILESCC(C)[C@H](NC(=O)Cn1cccc(O)c1=O)C(=O)OCc1ccccc1
InChIInChI=1S/C19H22N2O5/c1-13(2)17(19(25)26-12-14-7-4-3-5-8-14)20-16(23)11-21-10-6-9-15(22)18(21)24/h3-10,13,17,22H,11-12H2,1-2H3,(H,20,23)/t17-/m0/s1
InChIKeyHUSJMVGDLIDROU-KRWDZBQOSA-N
MW358.39 g/mol
LogP1.44
Rot. Bonds7

About benzyl (2S)-2-[[2-(3-hydroxy-2-oxo-1-pyridinyl)acetyl]amino]-3-methylbutanoate

benzyl (2S)-2-[[2-(3-hydroxy-2-oxo-1-pyridinyl)acetyl]amino]-3-methylbutanoate (PubChem CID 155512116) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is benzyl (2S)-2-[[2-(3-hydroxy-2-oxo-1-pyridinyl)acetyl]amino]-3-methylbutanoate.

Molecular Properties

Compound Namebenzyl (2S)-2-[[2-(3-hydroxy-2-oxo-1-pyridinyl)acetyl]amino]-3-methylbutanoate
PubChem CID155512116
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Namebenzyl (2S)-2-[[2-(3-hydroxy-2-oxo-1-pyridinyl)acetyl]amino]-3-methylbutanoate
SMILESCC(C)[C@H](NC(=O)Cn1cccc(O)c1=O)C(=O)OCc1ccccc1
InChIInChI=1S/C19H22N2O5/c1-13(2)17(19(25)26-12-14-7-4-3-5-8-14)20-16(23)11-21-10-6-9-15(22)18(21)24/h3-10,13,17,22H,11-12H2,1-2H3,(H,20,23)/t17-/m0/s1
InChIKeyHUSJMVGDLIDROU-KRWDZBQOSA-N
XLogP1.44
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze benzyl (2S)-2-[[2-(3-hydroxy-2-oxo-1-pyridinyl)acetyl]amino]-3-methylbutanoate 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 benzyl (2S)-2-[[2-(3-hydroxy-2-oxo-1-pyridinyl)acetyl]amino]-3-methylbutanoate?
The IUPAC name of benzyl (2S)-2-[[2-(3-hydroxy-2-oxo-1-pyridinyl)acetyl]amino]-3-methylbutanoate (CID 155512116) is benzyl (2S)-2-[[2-(3-hydroxy-2-oxo-1-pyridinyl)acetyl]amino]-3-methylbutanoate.
What is the SMILES notation for benzyl (2S)-2-[[2-(3-hydroxy-2-oxo-1-pyridinyl)acetyl]amino]-3-methylbutanoate?
The canonical SMILES for benzyl (2S)-2-[[2-(3-hydroxy-2-oxo-1-pyridinyl)acetyl]amino]-3-methylbutanoate is CC(C)[C@H](NC(=O)Cn1cccc(O)c1=O)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2S)-2-[[2-(3-hydroxy-2-oxo-1-pyridinyl)acetyl]amino]-3-methylbutanoate?
The InChIKey is HUSJMVGDLIDROU-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-13(2)17(19(25)26-12-14-7-4-3-5-8-14)20-16(23)11-21-10-6-9-15(22)18(21)24/h3-10,13,17,22H,11-12H2,1-2H3,(H,20,23)/t17-/m0/s1.
What are the key properties of benzyl (2S)-2-[[2-(3-hydroxy-2-oxo-1-pyridinyl)acetyl]amino]-3-methylbutanoate?
benzyl (2S)-2-[[2-(3-hydroxy-2-oxo-1-pyridinyl)acetyl]amino]-3-methylbutanoate has a molecular weight of 358.39 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-[[2-(3-hydroxy-2-oxo-1-pyridinyl)acetyl]amino]-3-methylbutanoate is sourced from PubChem (CID 155512116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).