5-(2-aminoethyl)-2,4-dihydroxybenzoic acid

C9H11NO4 — CID 117286645

IUPAC5-(2-aminoethyl)-2,4-dihydroxybenzoic acid
SMILESNCCc1cc(C(=O)O)c(O)cc1O
InChIInChI=1S/C9H11NO4/c10-2-1-5-3-6(9(13)14)8(12)4-7(5)11/h3-4,11-12H,1-2,10H2,(H,13,14)
InChIKeyUESPRDMHKCHDEN-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.30
Rot. Bonds3

About 5-(2-aminoethyl)-2,4-dihydroxybenzoic acid

5-(2-aminoethyl)-2,4-dihydroxybenzoic acid (PubChem CID 117286645) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 5-(2-aminoethyl)-2,4-dihydroxybenzoic acid.

Molecular Properties

Compound Name5-(2-aminoethyl)-2,4-dihydroxybenzoic acid
PubChem CID117286645
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name5-(2-aminoethyl)-2,4-dihydroxybenzoic acid
SMILESNCCc1cc(C(=O)O)c(O)cc1O
InChIInChI=1S/C9H11NO4/c10-2-1-5-3-6(9(13)14)8(12)4-7(5)11/h3-4,11-12H,1-2,10H2,(H,13,14)
InChIKeyUESPRDMHKCHDEN-UHFFFAOYSA-N
XLogP0.30
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5-(2-aminoethyl)-2,4-dihydroxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-(2-aminoethyl)-2,4-dihydroxybenzoate
CID 117301162
5-(2-aminoethyl)benzene-1,2,4-triol chloride
CID 23615875
4-[[4-(carboxymethyl)-2,5-dihydroxybenzoyl]carbamoyl]-2,5-dihydroxybenzoic acid
CID 156760597
4-(2-aminoethyl)-3-hydroxybenzoic acid;hydrobromide
CID 119031649
4,5-difluoro-2-hydroxybenzoic acid
CID 12040832
sodium 2,4,5-trihydroxybenzoic acid
CID 54609951
2,4-dihydroxy-5-[(1-hydroxycyclopropyl)methyl]benzoic acid
CID 117321380
5-(2-ethoxy-2-oxoacetyl)-2,4-dihydroxybenzoic acid
CID 117388254
5-(1-aminopropan-2-yl)-2,4-dihydroxybenzoic acid
CID 117301113
2-amino-5-(2-aminoethyl)benzene-1,4-diol;dihydrobromide
CID 86775405
CID 172784976
CID 172784976
5-(2-aminoethyl)benzene-1,2,3,4-tetrol
CID 71395914

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-2,4-dihydroxybenzoic acid?
The IUPAC name of 5-(2-aminoethyl)-2,4-dihydroxybenzoic acid (CID 117286645) is 5-(2-aminoethyl)-2,4-dihydroxybenzoic acid.
What is the SMILES notation for 5-(2-aminoethyl)-2,4-dihydroxybenzoic acid?
The canonical SMILES for 5-(2-aminoethyl)-2,4-dihydroxybenzoic acid is NCCc1cc(C(=O)O)c(O)cc1O.
What is the InChIKey of 5-(2-aminoethyl)-2,4-dihydroxybenzoic acid?
The InChIKey is UESPRDMHKCHDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c10-2-1-5-3-6(9(13)14)8(12)4-7(5)11/h3-4,11-12H,1-2,10H2,(H,13,14).
What are the key properties of 5-(2-aminoethyl)-2,4-dihydroxybenzoic acid?
5-(2-aminoethyl)-2,4-dihydroxybenzoic acid has a molecular weight of 197.19 g/mol, XLogP of 0.30, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-2,4-dihydroxybenzoic acid is sourced from PubChem (CID 117286645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).