ethyl (2S)-3,3-dimethyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoate

C14H20N2O4 — CID 71858933

IUPACethyl (2S)-3,3-dimethyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoate
SMILESCCOC(=O)[C@@H](NC(=O)c1ccc[nH]c1=O)C(C)(C)C
InChIInChI=1S/C14H20N2O4/c1-5-20-13(19)10(14(2,3)4)16-12(18)9-7-6-8-15-11(9)17/h6-8,10H,5H2,1-4H3,(H,15,17)(H,16,18)/t10-/m1/s1
InChIKeyASVVNIWXNDSJPH-SNVBAGLBSA-N
MW280.32 g/mol
LogP1.08
Rot. Bonds4

About ethyl (2S)-3,3-dimethyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoate

ethyl (2S)-3,3-dimethyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoate (PubChem CID 71858933) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is ethyl (2S)-3,3-dimethyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoate.

Molecular Properties

Compound Nameethyl (2S)-3,3-dimethyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoate
PubChem CID71858933
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Nameethyl (2S)-3,3-dimethyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoate
SMILESCCOC(=O)[C@@H](NC(=O)c1ccc[nH]c1=O)C(C)(C)C
InChIInChI=1S/C14H20N2O4/c1-5-20-13(19)10(14(2,3)4)16-12(18)9-7-6-8-15-11(9)17/h6-8,10H,5H2,1-4H3,(H,15,17)(H,16,18)/t10-/m1/s1
InChIKeyASVVNIWXNDSJPH-SNVBAGLBSA-N
XLogP1.08
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-3,3-dimethyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoate?
The IUPAC name of ethyl (2S)-3,3-dimethyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoate (CID 71858933) is ethyl (2S)-3,3-dimethyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoate.
What is the SMILES notation for ethyl (2S)-3,3-dimethyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoate?
The canonical SMILES for ethyl (2S)-3,3-dimethyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoate is CCOC(=O)[C@@H](NC(=O)c1ccc[nH]c1=O)C(C)(C)C.
What is the InChIKey of ethyl (2S)-3,3-dimethyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoate?
The InChIKey is ASVVNIWXNDSJPH-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-5-20-13(19)10(14(2,3)4)16-12(18)9-7-6-8-15-11(9)17/h6-8,10H,5H2,1-4H3,(H,15,17)(H,16,18)/t10-/m1/s1.
What are the key properties of ethyl (2S)-3,3-dimethyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoate?
ethyl (2S)-3,3-dimethyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoate has a molecular weight of 280.32 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-3,3-dimethyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoate is sourced from PubChem (CID 71858933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).