4-(2-aminoethoxy)-2-hydroxybenzoic acid

C9H11NO4 — CID 18506511

IUPAC4-(2-aminoethoxy)-2-hydroxybenzoic acid
SMILESNCCOc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C9H11NO4/c10-3-4-14-6-1-2-7(9(12)13)8(11)5-6/h1-2,5,11H,3-4,10H2,(H,12,13)
InChIKeyMDRJEWXGAWERPC-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.43
Rot. Bonds4

About 4-(2-aminoethoxy)-2-hydroxybenzoic acid

4-(2-aminoethoxy)-2-hydroxybenzoic acid (PubChem CID 18506511) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 4-(2-aminoethoxy)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-(2-aminoethoxy)-2-hydroxybenzoic acid
PubChem CID18506511
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name4-(2-aminoethoxy)-2-hydroxybenzoic acid
SMILESNCCOc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C9H11NO4/c10-3-4-14-6-1-2-7(9(12)13)8(11)5-6/h1-2,5,11H,3-4,10H2,(H,12,13)
InChIKeyMDRJEWXGAWERPC-UHFFFAOYSA-N
XLogP0.43
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-carboxy-3-hydroxyphenoxy)propoxy]-2-hydroxybenzoic acid
CID 71341364
4-[2-(4-chlorophenoxy)ethoxy]-2-hydroxybenzoic acid
CID 19857045
2-amino-4-(2-aminoethoxy)benzoic acid
CID 177325721
2-hydroxy-4-[2-(4-methylphenoxy)ethoxy]benzoic acid
CID 14177358
2-hydroxy-4-(8-phenoxyoctoxy)benzoic acid;zinc
CID 70268719
2-hydroxy-4-(3-nitrooxypropoxy)benzoic acid
CID 59448732
2-hydroxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]benzoic acid
CID 19857055
4-(2-aminoacetyl)oxy-2-hydroxybenzoic acid
CID 54434813
4-(3-aminopropoxy)-2-fluorobenzoic acid
CID 107675382
4-(2,2-difluoroethoxy)-2-hydroxybenzoic acid
CID 10242483
2-hydroxy-4-(2-methylpropoxy)benzoic acid
CID 154092894
2-hydroxy-4-[2-(4-hydroxy-2-methylphenoxy)ethoxy]benzoic acid
CID 67375658

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethoxy)-2-hydroxybenzoic acid?
The IUPAC name of 4-(2-aminoethoxy)-2-hydroxybenzoic acid (CID 18506511) is 4-(2-aminoethoxy)-2-hydroxybenzoic acid.
What is the SMILES notation for 4-(2-aminoethoxy)-2-hydroxybenzoic acid?
The canonical SMILES for 4-(2-aminoethoxy)-2-hydroxybenzoic acid is NCCOc1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 4-(2-aminoethoxy)-2-hydroxybenzoic acid?
The InChIKey is MDRJEWXGAWERPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c10-3-4-14-6-1-2-7(9(12)13)8(11)5-6/h1-2,5,11H,3-4,10H2,(H,12,13).
What are the key properties of 4-(2-aminoethoxy)-2-hydroxybenzoic acid?
4-(2-aminoethoxy)-2-hydroxybenzoic acid has a molecular weight of 197.19 g/mol, XLogP of 0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethoxy)-2-hydroxybenzoic acid is sourced from PubChem (CID 18506511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).