amino 2-hydroxybenzoate

C7H7NO3 — CID 12598418

IUPACamino 2-hydroxybenzoate
SMILESNOC(=O)c1ccccc1O
InChIInChI=1S/C7H7NO3/c8-11-7(10)5-3-1-2-4-6(5)9/h1-4,9H,8H2
InChIKeyAIWXJLPLVDPBHE-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.42
Rot. Bonds1

About amino 2-hydroxybenzoate

amino 2-hydroxybenzoate (PubChem CID 12598418) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is amino 2-hydroxybenzoate.

Molecular Properties

Compound Nameamino 2-hydroxybenzoate
PubChem CID12598418
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Nameamino 2-hydroxybenzoate
SMILESNOC(=O)c1ccccc1O
InChIInChI=1S/C7H7NO3/c8-11-7(10)5-3-1-2-4-6(5)9/h1-4,9H,8H2
InChIKeyAIWXJLPLVDPBHE-UHFFFAOYSA-N
XLogP0.42
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tetrakis(2-aminooxycarbonylbenzoate);zirconium(4+)
CID 175454491
methyl 2-hydroxybenzoate;urea
CID 174888687
Dimethylsilyl salicylate
CID 22616670
(2-hydroxybenzoyl)peroxycarbonyl 2-hydroxybenzenecarboperoxoate
CID 141348519
2-O-amino 1-O-ethyl benzene-1,2-dicarboxylate
CID 154139708
ethane;(2-hydroxybenzoyl)oxymethyl 2-hydroxybenzoate;methane
CID 159507892
amino 2-benzoylbenzoate
CID 19737509
sodium;hydride;methyl 2-hydroxybenzoate
CID 173007756
dihydroxyphosphanyl 2-hydroxybenzoate
CID 141059602
lithium;hydride;methyl 2-hydroxybenzoate
CID 173284844
amino 2,3-diaminobenzoate
CID 66872276
2-chloroethyl 2-hydroxybenzoate
CID 13052757

Frequently Asked Questions

What is the IUPAC name of amino 2-hydroxybenzoate?
The IUPAC name of amino 2-hydroxybenzoate (CID 12598418) is amino 2-hydroxybenzoate.
What is the SMILES notation for amino 2-hydroxybenzoate?
The canonical SMILES for amino 2-hydroxybenzoate is NOC(=O)c1ccccc1O.
What is the InChIKey of amino 2-hydroxybenzoate?
The InChIKey is AIWXJLPLVDPBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c8-11-7(10)5-3-1-2-4-6(5)9/h1-4,9H,8H2.
What are the key properties of amino 2-hydroxybenzoate?
amino 2-hydroxybenzoate has a molecular weight of 153.14 g/mol, XLogP of 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino 2-hydroxybenzoate is sourced from PubChem (CID 12598418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).