2-(2-amino-5-nitrosophenyl)hexanoic acid

C12H16N2O3 — CID 90120332

IUPAC2-(2-amino-5-nitrosophenyl)hexanoic acid
SMILESCCCCC(C(=O)O)c1cc(N=O)ccc1N
InChIInChI=1S/C12H16N2O3/c1-2-3-4-9(12(15)16)10-7-8(14-17)5-6-11(10)13/h5-7,9H,2-4,13H2,1H3,(H,15,16)
InChIKeyQBVNQVMLCXMECJ-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.03
Rot. Bonds6

About 2-(2-amino-5-nitrosophenyl)hexanoic acid

2-(2-amino-5-nitrosophenyl)hexanoic acid (PubChem CID 90120332) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(2-amino-5-nitrosophenyl)hexanoic acid.

Molecular Properties

Compound Name2-(2-amino-5-nitrosophenyl)hexanoic acid
PubChem CID90120332
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-(2-amino-5-nitrosophenyl)hexanoic acid
SMILESCCCCC(C(=O)O)c1cc(N=O)ccc1N
InChIInChI=1S/C12H16N2O3/c1-2-3-4-9(12(15)16)10-7-8(14-17)5-6-11(10)13/h5-7,9H,2-4,13H2,1H3,(H,15,16)
InChIKeyQBVNQVMLCXMECJ-UHFFFAOYSA-N
XLogP3.03
TPSA92.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-amino-5-(trifluoromethyl)phenyl]hexanoic acid
CID 106987905
2-(2-amino-5-methoxyphenyl)octanoic acid
CID 106987315
2-(2,4-dimethylphenyl)hexanoic acid
CID 69334667
methyl 2-(2-amino-5-tert-butylphenyl)hexanoate
CID 106987696
2-(2-amino-3-fluorophenyl)heptanoic acid
CID 106987341
2-(2-amino-3-fluorophenyl)decanoic acid
CID 106820197
2-[2-(diaminomethylideneamino)phenyl]henicosanoic acid
CID 69479694
2-(2,3-difluoro-4-methylphenyl)hexanoic acid
CID 107514223
2-(4-nitrosophenyl)butanoic acid
CID 175674505
2-(2-amino-3-methylphenyl)decanoic acid
CID 106987425
2-(2-amino-3-bromophenyl)decanoic acid
CID 106987429
2-(2-amino-5-chlorophenyl)hept-5-ynoic acid
CID 106988150

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-nitrosophenyl)hexanoic acid?
The IUPAC name of 2-(2-amino-5-nitrosophenyl)hexanoic acid (CID 90120332) is 2-(2-amino-5-nitrosophenyl)hexanoic acid.
What is the SMILES notation for 2-(2-amino-5-nitrosophenyl)hexanoic acid?
The canonical SMILES for 2-(2-amino-5-nitrosophenyl)hexanoic acid is CCCCC(C(=O)O)c1cc(N=O)ccc1N.
What is the InChIKey of 2-(2-amino-5-nitrosophenyl)hexanoic acid?
The InChIKey is QBVNQVMLCXMECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-2-3-4-9(12(15)16)10-7-8(14-17)5-6-11(10)13/h5-7,9H,2-4,13H2,1H3,(H,15,16).
What are the key properties of 2-(2-amino-5-nitrosophenyl)hexanoic acid?
2-(2-amino-5-nitrosophenyl)hexanoic acid has a molecular weight of 236.27 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-nitrosophenyl)hexanoic acid is sourced from PubChem (CID 90120332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).