2-methyl-2-[[2-(4-oxoquinolin-1-yl)acetyl]amino]butanoic acid

C16H18N2O4 — CID 119199302

IUPAC2-methyl-2-[[2-(4-oxoquinolin-1-yl)acetyl]amino]butanoic acid
SMILESCCC(C)(NC(=O)Cn1ccc(=O)c2ccccc21)C(=O)O
InChIInChI=1S/C16H18N2O4/c1-3-16(2,15(21)22)17-14(20)10-18-9-8-13(19)11-6-4-5-7-12(11)18/h4-9H,3,10H2,1-2H3,(H,17,20)(H,21,22)
InChIKeyADPPGOGONJQEDB-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.37
Rot. Bonds5

About 2-methyl-2-[[2-(4-oxoquinolin-1-yl)acetyl]amino]butanoic acid

2-methyl-2-[[2-(4-oxoquinolin-1-yl)acetyl]amino]butanoic acid (PubChem CID 119199302) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-methyl-2-[[2-(4-oxoquinolin-1-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[2-(4-oxoquinolin-1-yl)acetyl]amino]butanoic acid
PubChem CID119199302
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name2-methyl-2-[[2-(4-oxoquinolin-1-yl)acetyl]amino]butanoic acid
SMILESCCC(C)(NC(=O)Cn1ccc(=O)c2ccccc21)C(=O)O
InChIInChI=1S/C16H18N2O4/c1-3-16(2,15(21)22)17-14(20)10-18-9-8-13(19)11-6-4-5-7-12(11)18/h4-9H,3,10H2,1-2H3,(H,17,20)(H,21,22)
InChIKeyADPPGOGONJQEDB-UHFFFAOYSA-N
XLogP1.37
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,3-dimethyl-2-oxobutyl)quinolin-4-one
CID 62024225
2-(4-oxoquinolin-1-yl)-N-pentylacetamide
CID 47779055
2-(3-indol-1-ylpropanoylamino)-2-methylbutanoic acid
CID 119199226
N-[(1S)-2-hydroxy-1-phenylethyl]-2-(4-oxoquinolin-1-yl)acetamide
CID 110001825
N-butan-2-yl-2-[[2-(4-oxoquinolin-1-yl)acetyl]amino]propanamide
CID 51096627
N-(2-hydroxyphenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 47840872
ethyl 3-oxo-4-(4-oxoquinolin-1-yl)butanoate
CID 63899087
2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-methylbutanoic acid
CID 79792760
N-[cyclobutyl(phenyl)methyl]-2-(4-oxoquinolin-1-yl)acetamide
CID 71933283
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(4-oxoquinolin-1-yl)acetamide
CID 119526495
N-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-2-(4-oxoquinolin-1-yl)acetamide
CID 100643827
1-[[2-(4-oxoquinolin-1-yl)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538567

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-(4-oxoquinolin-1-yl)acetyl]amino]butanoic acid?
The IUPAC name of 2-methyl-2-[[2-(4-oxoquinolin-1-yl)acetyl]amino]butanoic acid (CID 119199302) is 2-methyl-2-[[2-(4-oxoquinolin-1-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[[2-(4-oxoquinolin-1-yl)acetyl]amino]butanoic acid?
The canonical SMILES for 2-methyl-2-[[2-(4-oxoquinolin-1-yl)acetyl]amino]butanoic acid is CCC(C)(NC(=O)Cn1ccc(=O)c2ccccc21)C(=O)O.
What is the InChIKey of 2-methyl-2-[[2-(4-oxoquinolin-1-yl)acetyl]amino]butanoic acid?
The InChIKey is ADPPGOGONJQEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-3-16(2,15(21)22)17-14(20)10-18-9-8-13(19)11-6-4-5-7-12(11)18/h4-9H,3,10H2,1-2H3,(H,17,20)(H,21,22).
What are the key properties of 2-methyl-2-[[2-(4-oxoquinolin-1-yl)acetyl]amino]butanoic acid?
2-methyl-2-[[2-(4-oxoquinolin-1-yl)acetyl]amino]butanoic acid has a molecular weight of 302.33 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-(4-oxoquinolin-1-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 119199302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).