2-methyl-2-(2-nitrosophenyl)propanoic acid

C10H11NO3 — CID 130121803

IUPAC2-methyl-2-(2-nitrosophenyl)propanoic acid
SMILESCC(C)(C(=O)O)c1ccccc1N=O
InChIInChI=1S/C10H11NO3/c1-10(2,9(12)13)7-5-3-4-6-8(7)11-14/h3-6H,1-2H3,(H,12,13)
InChIKeyQFYCPADEYGTBRA-UHFFFAOYSA-N
MW193.20 g/mol
LogP2.45
Rot. Bonds3

About 2-methyl-2-(2-nitrosophenyl)propanoic acid

2-methyl-2-(2-nitrosophenyl)propanoic acid (PubChem CID 130121803) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-methyl-2-(2-nitrosophenyl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(2-nitrosophenyl)propanoic acid
PubChem CID130121803
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name2-methyl-2-(2-nitrosophenyl)propanoic acid
SMILESCC(C)(C(=O)O)c1ccccc1N=O
InChIInChI=1S/C10H11NO3/c1-10(2,9(12)13)7-5-3-4-6-8(7)11-14/h3-6H,1-2H3,(H,12,13)
InChIKeyQFYCPADEYGTBRA-UHFFFAOYSA-N
XLogP2.45
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-nitrosophenyl)propanoic acid?
The IUPAC name of 2-methyl-2-(2-nitrosophenyl)propanoic acid (CID 130121803) is 2-methyl-2-(2-nitrosophenyl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(2-nitrosophenyl)propanoic acid?
The canonical SMILES for 2-methyl-2-(2-nitrosophenyl)propanoic acid is CC(C)(C(=O)O)c1ccccc1N=O.
What is the InChIKey of 2-methyl-2-(2-nitrosophenyl)propanoic acid?
The InChIKey is QFYCPADEYGTBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-10(2,9(12)13)7-5-3-4-6-8(7)11-14/h3-6H,1-2H3,(H,12,13).
What are the key properties of 2-methyl-2-(2-nitrosophenyl)propanoic acid?
2-methyl-2-(2-nitrosophenyl)propanoic acid has a molecular weight of 193.20 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-nitrosophenyl)propanoic acid is sourced from PubChem (CID 130121803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).