4-[(2S)-2-amino-3,3-dimethylbutanoyl]-1,3-dihydroquinoxalin-2-one

C14H19N3O2 — CID 61148811

IUPAC4-[(2S)-2-amino-3,3-dimethylbutanoyl]-1,3-dihydroquinoxalin-2-one
SMILESCC(C)(C)[C@H](N)C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C14H19N3O2/c1-14(2,3)12(15)13(19)17-8-11(18)16-9-6-4-5-7-10(9)17/h4-7,12H,8,15H2,1-3H3,(H,16,18)/t12-/m1/s1
InChIKeyURBJDGCRNRJUHO-GFCCVEGCSA-N
MW261.32 g/mol
LogP1.35
Rot. Bonds1

About 4-[(2S)-2-amino-3,3-dimethylbutanoyl]-1,3-dihydroquinoxalin-2-one

4-[(2S)-2-amino-3,3-dimethylbutanoyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 61148811) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-[(2S)-2-amino-3,3-dimethylbutanoyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[(2S)-2-amino-3,3-dimethylbutanoyl]-1,3-dihydroquinoxalin-2-one
PubChem CID61148811
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-[(2S)-2-amino-3,3-dimethylbutanoyl]-1,3-dihydroquinoxalin-2-one
SMILESCC(C)(C)[C@H](N)C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C14H19N3O2/c1-14(2,3)12(15)13(19)17-8-11(18)16-9-6-4-5-7-10(9)17/h4-7,12H,8,15H2,1-3H3,(H,16,18)/t12-/m1/s1
InChIKeyURBJDGCRNRJUHO-GFCCVEGCSA-N
XLogP1.35
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(aminomethyl)-4,4-dimethylpentanoyl]-1,3-dihydroquinoxalin-2-one
CID 107471092
4-[(2S)-2-bromo-3-methylbutanoyl]-1,3-dihydroquinoxalin-2-one
CID 28822186
4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one
CID 107902910
2,3-dimethyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoic acid
CID 103495892
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]urea
CID 95040569
4-[(2R)-2-(azepan-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 26613483
4-(2-amino-2-ethylbutanoyl)-1,3-dihydroquinoxalin-2-one
CID 79810105
4-(2,2,2-trifluoroacetyl)-1,3-dihydroquinoxalin-2-one
CID 4749914
4-[2-(4-methylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 16864023
4-[(2S)-2-(benzhydrylamino)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8596462
4-[2-(ethylamino)-2-methylpropanoyl]-1,3-dihydroquinoxalin-2-one
CID 62833211
4-[(2R)-2-phenoxybutanoyl]-1,3-dihydroquinoxalin-2-one
CID 40747048

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-amino-3,3-dimethylbutanoyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[(2S)-2-amino-3,3-dimethylbutanoyl]-1,3-dihydroquinoxalin-2-one (CID 61148811) is 4-[(2S)-2-amino-3,3-dimethylbutanoyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[(2S)-2-amino-3,3-dimethylbutanoyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[(2S)-2-amino-3,3-dimethylbutanoyl]-1,3-dihydroquinoxalin-2-one is CC(C)(C)[C@H](N)C(=O)N1CC(=O)Nc2ccccc21.
What is the InChIKey of 4-[(2S)-2-amino-3,3-dimethylbutanoyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is URBJDGCRNRJUHO-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-14(2,3)12(15)13(19)17-8-11(18)16-9-6-4-5-7-10(9)17/h4-7,12H,8,15H2,1-3H3,(H,16,18)/t12-/m1/s1.
What are the key properties of 4-[(2S)-2-amino-3,3-dimethylbutanoyl]-1,3-dihydroquinoxalin-2-one?
4-[(2S)-2-amino-3,3-dimethylbutanoyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 261.32 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-amino-3,3-dimethylbutanoyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 61148811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).