2-[4-(2-aminoethyl)phenyl]-2-hydroxyiminoacetic acid

C10H12N2O3 — CID 173122187

IUPAC2-[4-(2-aminoethyl)phenyl]-2-hydroxyiminoacetic acid
SMILESNCCc1ccc(C(=NO)C(=O)O)cc1
InChIInChI=1S/C10H12N2O3/c11-6-5-7-1-3-8(4-2-7)9(12-15)10(13)14/h1-4,15H,5-6,11H2,(H,13,14)
InChIKeyIGPFXXKIPWAENB-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.45
Rot. Bonds4

About 2-[4-(2-aminoethyl)phenyl]-2-hydroxyiminoacetic acid

2-[4-(2-aminoethyl)phenyl]-2-hydroxyiminoacetic acid (PubChem CID 173122187) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)phenyl]-2-hydroxyiminoacetic acid.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)phenyl]-2-hydroxyiminoacetic acid
PubChem CID173122187
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-[4-(2-aminoethyl)phenyl]-2-hydroxyiminoacetic acid
SMILESNCCc1ccc(C(=NO)C(=O)O)cc1
InChIInChI=1S/C10H12N2O3/c11-6-5-7-1-3-8(4-2-7)9(12-15)10(13)14/h1-4,15H,5-6,11H2,(H,13,14)
InChIKeyIGPFXXKIPWAENB-UHFFFAOYSA-N
XLogP0.45
TPSA95.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2-Aminoethyl)-benzoic acid sodium
CID 70590830
4-(2-aminoethyl)benzoic acid;hydron;chloride
CID 56844303
[4-(2-aminoethyl)phenyl]-phenylmethanone
CID 14368635
4-(2-aminoethyl)benzamide;hydrochloride
CID 23071598
4-(2-aminoethyl)benzoic acid;aniline
CID 159090875
2-[4-(2-aminoethyl)phenyl]ethanamine;hydrochloride
CID 68536204
2-[4-(2-aminoethyl)phenyl]ethanamine;hydroiodide
CID 175484243
2-[4-(aminomethyl)phenyl]-2-hydroxyimino-N-methylacetamide
CID 174660188
2-[4-(2-aminoethyl)phenyl]acetamide
CID 70268423
4-(2-aminoethyl)-N-methoxybenzamide
CID 64974995
4-(2-aminoethyl)-N-cyanobenzamide
CID 79194320
[4-(2-aminoethyl)phenyl] hydrogen carbonate;hydrochloride
CID 171616803

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)phenyl]-2-hydroxyiminoacetic acid?
The IUPAC name of 2-[4-(2-aminoethyl)phenyl]-2-hydroxyiminoacetic acid (CID 173122187) is 2-[4-(2-aminoethyl)phenyl]-2-hydroxyiminoacetic acid.
What is the SMILES notation for 2-[4-(2-aminoethyl)phenyl]-2-hydroxyiminoacetic acid?
The canonical SMILES for 2-[4-(2-aminoethyl)phenyl]-2-hydroxyiminoacetic acid is NCCc1ccc(C(=NO)C(=O)O)cc1.
What is the InChIKey of 2-[4-(2-aminoethyl)phenyl]-2-hydroxyiminoacetic acid?
The InChIKey is IGPFXXKIPWAENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c11-6-5-7-1-3-8(4-2-7)9(12-15)10(13)14/h1-4,15H,5-6,11H2,(H,13,14).
What are the key properties of 2-[4-(2-aminoethyl)phenyl]-2-hydroxyiminoacetic acid?
2-[4-(2-aminoethyl)phenyl]-2-hydroxyiminoacetic acid has a molecular weight of 208.22 g/mol, XLogP of 0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)phenyl]-2-hydroxyiminoacetic acid is sourced from PubChem (CID 173122187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).