3-methyl-4-(4-nitrosophenyl)butanoic acid

C11H13NO3 — CID 141439546

IUPAC3-methyl-4-(4-nitrosophenyl)butanoic acid
SMILESCC(CC(=O)O)Cc1ccc(N=O)cc1
InChIInChI=1S/C11H13NO3/c1-8(7-11(13)14)6-9-2-4-10(12-15)5-3-9/h2-5,8H,6-7H2,1H3,(H,13,14)
InChIKeyYPFIBWXQPWJLMT-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.74
Rot. Bonds5

About 3-methyl-4-(4-nitrosophenyl)butanoic acid

3-methyl-4-(4-nitrosophenyl)butanoic acid (PubChem CID 141439546) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-methyl-4-(4-nitrosophenyl)butanoic acid.

Molecular Properties

Compound Name3-methyl-4-(4-nitrosophenyl)butanoic acid
PubChem CID141439546
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name3-methyl-4-(4-nitrosophenyl)butanoic acid
SMILESCC(CC(=O)O)Cc1ccc(N=O)cc1
InChIInChI=1S/C11H13NO3/c1-8(7-11(13)14)6-9-2-4-10(12-15)5-3-9/h2-5,8H,6-7H2,1H3,(H,13,14)
InChIKeyYPFIBWXQPWJLMT-UHFFFAOYSA-N
XLogP2.74
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-hydroxyphenyl)-3-methylbutanoic acid
CID 23378394
(3S)-3-methyl-4-(4-nitrophenyl)butanoic acid
CID 70958911
3-methyl-4-(4-pyridin-4-ylphenyl)butanoic acid
CID 82543408
(2S)-2-(methylamino)-3-(4-nitrosophenyl)propanoic acid
CID 87160130
4-(3,4-difluorophenyl)-3-methylbutanoic acid
CID 82935908
4-(4-cyclohexylphenyl)-3-methylbutanoic acid
CID 116926748
4-[4-(2-chlorophenyl)phenyl]-3-methylbutanoic acid
CID 82543182
4-(3,5-difluorophenyl)-3-methylbutanoic acid
CID 105411374
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylbutanoic acid
CID 82116705
4-(6-methoxynaphthalen-2-yl)-3-methylbutanoic acid
CID 116926814
4-(3-bromophenyl)-3-methylbutanoic acid
CID 67126232
1-(2-azidopropyl)-4-nitrosobenzene
CID 173493901

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(4-nitrosophenyl)butanoic acid?
The IUPAC name of 3-methyl-4-(4-nitrosophenyl)butanoic acid (CID 141439546) is 3-methyl-4-(4-nitrosophenyl)butanoic acid.
What is the SMILES notation for 3-methyl-4-(4-nitrosophenyl)butanoic acid?
The canonical SMILES for 3-methyl-4-(4-nitrosophenyl)butanoic acid is CC(CC(=O)O)Cc1ccc(N=O)cc1.
What is the InChIKey of 3-methyl-4-(4-nitrosophenyl)butanoic acid?
The InChIKey is YPFIBWXQPWJLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-8(7-11(13)14)6-9-2-4-10(12-15)5-3-9/h2-5,8H,6-7H2,1H3,(H,13,14).
What are the key properties of 3-methyl-4-(4-nitrosophenyl)butanoic acid?
3-methyl-4-(4-nitrosophenyl)butanoic acid has a molecular weight of 207.23 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(4-nitrosophenyl)butanoic acid is sourced from PubChem (CID 141439546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).