butyl (2S)-3-hydroxy-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoate

C13H18N2O5 — CID 90866296

IUPACbutyl (2S)-3-hydroxy-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoate
SMILESCCCCOC(=O)[C@H](CO)NC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C13H18N2O5/c1-2-3-7-20-13(19)10(8-16)15-12(18)9-5-4-6-14-11(9)17/h4-6,10,16H,2-3,7-8H2,1H3,(H,14,17)(H,15,18)/t10-/m0/s1
InChIKeyVIKNUNKWHMOBLP-JTQLQIEISA-N
MW282.30 g/mol
LogP-0.19
Rot. Bonds7

About butyl (2S)-3-hydroxy-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoate

butyl (2S)-3-hydroxy-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoate (PubChem CID 90866296) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is butyl (2S)-3-hydroxy-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namebutyl (2S)-3-hydroxy-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoate
PubChem CID90866296
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Namebutyl (2S)-3-hydroxy-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoate
SMILESCCCCOC(=O)[C@H](CO)NC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C13H18N2O5/c1-2-3-7-20-13(19)10(8-16)15-12(18)9-5-4-6-14-11(9)17/h4-6,10,16H,2-3,7-8H2,1H3,(H,14,17)(H,15,18)/t10-/m0/s1
InChIKeyVIKNUNKWHMOBLP-JTQLQIEISA-N
XLogP-0.19
TPSA108.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze butyl (2S)-3-hydroxy-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoate with MolForge

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Related Compounds

Butyl O-acetyl-N-[(2-hydroxypyridin-3-yl)carbonyl]-L-serinate
CID 49797770
methyl 3-hydroxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoate
CID 43409718
3-methoxy-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]propanoic acid
CID 81084525
ethyl (2S)-3,3-dimethyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoate
CID 71858933
ethyl 2-[(2-oxo-1H-pyridine-3-carbonyl)amino]acetate
CID 47257317
3-[[1-[2-(4-Hydroxybutoxy)ethyl]-2-oxo-3-pyridinyl]methylamino]propanoic acid
CID 156193613
methyl 3-hydroxy-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoate
CID 13032599
2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 24698493
3-hydroxy-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid
CID 24704137
3-hydroxy-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 24706767
(2R)-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 28190631
(2S)-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 28190633

Frequently Asked Questions

What is the IUPAC name of butyl (2S)-3-hydroxy-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoate?
The IUPAC name of butyl (2S)-3-hydroxy-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoate (CID 90866296) is butyl (2S)-3-hydroxy-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoate.
What is the SMILES notation for butyl (2S)-3-hydroxy-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoate?
The canonical SMILES for butyl (2S)-3-hydroxy-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoate is CCCCOC(=O)[C@H](CO)NC(=O)c1ccc[nH]c1=O.
What is the InChIKey of butyl (2S)-3-hydroxy-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoate?
The InChIKey is VIKNUNKWHMOBLP-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N2O5/c1-2-3-7-20-13(19)10(8-16)15-12(18)9-5-4-6-14-11(9)17/h4-6,10,16H,2-3,7-8H2,1H3,(H,14,17)(H,15,18)/t10-/m0/s1.
What are the key properties of butyl (2S)-3-hydroxy-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoate?
butyl (2S)-3-hydroxy-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoate has a molecular weight of 282.30 g/mol, XLogP of -0.19, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl (2S)-3-hydroxy-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoate is sourced from PubChem (CID 90866296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).