2,2,3-trimethyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid

C15H22N2O4 — CID 65266103

IUPAC2,2,3-trimethyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid
SMILESCC(C)(NC(=O)CCn1ccccc1=O)C(C)(C)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-14(2,13(20)21)15(3,4)16-11(18)8-10-17-9-6-5-7-12(17)19/h5-7,9H,8,10H2,1-4H3,(H,16,18)(H,20,21)
InChIKeyMIDQGYBQMAYTPP-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.24
Rot. Bonds6

About 2,2,3-trimethyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid

2,2,3-trimethyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid (PubChem CID 65266103) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid
PubChem CID65266103
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2,2,3-trimethyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid
SMILESCC(C)(NC(=O)CCn1ccccc1=O)C(C)(C)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-14(2,13(20)21)15(3,4)16-11(18)8-10-17-9-6-5-7-12(17)19/h5-7,9H,8,10H2,1-4H3,(H,16,18)(H,20,21)
InChIKeyMIDQGYBQMAYTPP-UHFFFAOYSA-N
XLogP1.24
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,3,3-trifluoro-2-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]propanoic acid
CID 79791861
3-(2-oxo-1-pyridinyl)propanehydrazide
CID 43346089
N-(1-hydroxy-3-methylpentan-3-yl)-3-(2-oxo-1-pyridinyl)propanamide
CID 103946026
2,2,3-trimethyl-3-(4-phenylbutanoylamino)butanoic acid
CID 65261163
3-methyl-4-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid
CID 81063006
2,2-dimethyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanamide
CID 86996735
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(2-oxo-1-pyridinyl)propanamide
CID 103941143
N-(4-acetamidophenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 86979387
N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 109381038
N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 103945268
2-methyl-4-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid
CID 80539147
N-[2-(tert-butylsulfamoyl)phenyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86840883

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid (CID 65266103) is 2,2,3-trimethyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid is CC(C)(NC(=O)CCn1ccccc1=O)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid?
The InChIKey is MIDQGYBQMAYTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-14(2,13(20)21)15(3,4)16-11(18)8-10-17-9-6-5-7-12(17)19/h5-7,9H,8,10H2,1-4H3,(H,16,18)(H,20,21).
What are the key properties of 2,2,3-trimethyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid?
2,2,3-trimethyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid is sourced from PubChem (CID 65266103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).