4-[hydroxy(methylamino)amino]benzoic acid

C8H10N2O3 — CID 163151352

IUPAC4-[hydroxy(methylamino)amino]benzoic acid
SMILESCNN(O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C8H10N2O3/c1-9-10(13)7-4-2-6(3-5-7)8(11)12/h2-5,9,13H,1H3,(H,11,12)
InChIKeyQOJRYHNTNQHQLZ-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.71
Rot. Bonds3

About 4-[hydroxy(methylamino)amino]benzoic acid

4-[hydroxy(methylamino)amino]benzoic acid (PubChem CID 163151352) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 4-[hydroxy(methylamino)amino]benzoic acid.

Molecular Properties

Compound Name4-[hydroxy(methylamino)amino]benzoic acid
PubChem CID163151352
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name4-[hydroxy(methylamino)amino]benzoic acid
SMILESCNN(O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C8H10N2O3/c1-9-10(13)7-4-2-6(3-5-7)8(11)12/h2-5,9,13H,1H3,(H,11,12)
InChIKeyQOJRYHNTNQHQLZ-UHFFFAOYSA-N
XLogP0.71
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[hydroxy(methylamino)amino]benzoic acid?
The IUPAC name of 4-[hydroxy(methylamino)amino]benzoic acid (CID 163151352) is 4-[hydroxy(methylamino)amino]benzoic acid.
What is the SMILES notation for 4-[hydroxy(methylamino)amino]benzoic acid?
The canonical SMILES for 4-[hydroxy(methylamino)amino]benzoic acid is CNN(O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[hydroxy(methylamino)amino]benzoic acid?
The InChIKey is QOJRYHNTNQHQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-9-10(13)7-4-2-6(3-5-7)8(11)12/h2-5,9,13H,1H3,(H,11,12).
What are the key properties of 4-[hydroxy(methylamino)amino]benzoic acid?
4-[hydroxy(methylamino)amino]benzoic acid has a molecular weight of 182.18 g/mol, XLogP of 0.71, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydroxy(methylamino)amino]benzoic acid is sourced from PubChem (CID 163151352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).