3-(1-aminoethyl)-5-hydroxybenzoic acid

C9H11NO3 — CID 130001368

IUPAC3-(1-aminoethyl)-5-hydroxybenzoic acid
SMILESCC(N)c1cc(O)cc(C(=O)O)c1
InChIInChI=1S/C9H11NO3/c1-5(10)6-2-7(9(12)13)4-8(11)3-6/h2-5,11H,10H2,1H3,(H,12,13)
InChIKeyICJYSQQKLMZEQM-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.11
Rot. Bonds2

About 3-(1-aminoethyl)-5-hydroxybenzoic acid

3-(1-aminoethyl)-5-hydroxybenzoic acid (PubChem CID 130001368) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 3-(1-aminoethyl)-5-hydroxybenzoic acid.

Molecular Properties

Compound Name3-(1-aminoethyl)-5-hydroxybenzoic acid
PubChem CID130001368
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name3-(1-aminoethyl)-5-hydroxybenzoic acid
SMILESCC(N)c1cc(O)cc(C(=O)O)c1
InChIInChI=1S/C9H11NO3/c1-5(10)6-2-7(9(12)13)4-8(11)3-6/h2-5,11H,10H2,1H3,(H,12,13)
InChIKeyICJYSQQKLMZEQM-UHFFFAOYSA-N
XLogP1.11
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-5-hydroxybenzoic acid?
The IUPAC name of 3-(1-aminoethyl)-5-hydroxybenzoic acid (CID 130001368) is 3-(1-aminoethyl)-5-hydroxybenzoic acid.
What is the SMILES notation for 3-(1-aminoethyl)-5-hydroxybenzoic acid?
The canonical SMILES for 3-(1-aminoethyl)-5-hydroxybenzoic acid is CC(N)c1cc(O)cc(C(=O)O)c1.
What is the InChIKey of 3-(1-aminoethyl)-5-hydroxybenzoic acid?
The InChIKey is ICJYSQQKLMZEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-5(10)6-2-7(9(12)13)4-8(11)3-6/h2-5,11H,10H2,1H3,(H,12,13).
What are the key properties of 3-(1-aminoethyl)-5-hydroxybenzoic acid?
3-(1-aminoethyl)-5-hydroxybenzoic acid has a molecular weight of 181.19 g/mol, XLogP of 1.11, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-5-hydroxybenzoic acid is sourced from PubChem (CID 130001368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).