3-(1-aminoprop-2-enyl)-2-hydroxybenzoic acid

C10H11NO3 — CID 70184643

IUPAC3-(1-aminoprop-2-enyl)-2-hydroxybenzoic acid
SMILESC=CC(N)c1cccc(C(=O)O)c1O
InChIInChI=1S/C10H11NO3/c1-2-8(11)6-4-3-5-7(9(6)12)10(13)14/h2-5,8,12H,1,11H2,(H,13,14)
InChIKeyRLCKCPIQCQTRRC-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.28
Rot. Bonds3

About 3-(1-aminoprop-2-enyl)-2-hydroxybenzoic acid

3-(1-aminoprop-2-enyl)-2-hydroxybenzoic acid (PubChem CID 70184643) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 3-(1-aminoprop-2-enyl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name3-(1-aminoprop-2-enyl)-2-hydroxybenzoic acid
PubChem CID70184643
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name3-(1-aminoprop-2-enyl)-2-hydroxybenzoic acid
SMILESC=CC(N)c1cccc(C(=O)O)c1O
InChIInChI=1S/C10H11NO3/c1-2-8(11)6-4-3-5-7(9(6)12)10(13)14/h2-5,8,12H,1,11H2,(H,13,14)
InChIKeyRLCKCPIQCQTRRC-UHFFFAOYSA-N
XLogP1.28
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[(1S)-1-aminoprop-2-enyl]benzene-1,2-diol
CID 130642432
2-[(1S)-1-aminoprop-2-enyl]-6-chlorophenol
CID 130645432
2-[(1R)-1-aminoprop-2-enyl]-6-iodophenol
CID 130635018
2-(1-aminoprop-2-enyl)-3-fluorobenzoic acid
CID 55297833
2-[(1R)-1-aminoprop-2-enyl]-6-bromophenol;hydrochloride
CID 171202774
2-hydroxy-3-(1-sulfanylethyl)benzoic acid
CID 88637465
2-[(1R)-1-aminoprop-2-enyl]phenol
CID 55278919
methyl 2-(1-aminoprop-2-enyl)benzoate
CID 55273235
3-benzhydryl-2-hydroxybenzoic acid;zinc
CID 70592549
2-[(1R)-1-aminoprop-2-enyl]-5-fluorobenzoic acid
CID 130767258
2-hydroxybenzene-1,3-dicarboxylic acid;methane
CID 174853771
3-[(1S)-1-aminoprop-2-enyl]-2-bromophenol
CID 130682320

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoprop-2-enyl)-2-hydroxybenzoic acid?
The IUPAC name of 3-(1-aminoprop-2-enyl)-2-hydroxybenzoic acid (CID 70184643) is 3-(1-aminoprop-2-enyl)-2-hydroxybenzoic acid.
What is the SMILES notation for 3-(1-aminoprop-2-enyl)-2-hydroxybenzoic acid?
The canonical SMILES for 3-(1-aminoprop-2-enyl)-2-hydroxybenzoic acid is C=CC(N)c1cccc(C(=O)O)c1O.
What is the InChIKey of 3-(1-aminoprop-2-enyl)-2-hydroxybenzoic acid?
The InChIKey is RLCKCPIQCQTRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-2-8(11)6-4-3-5-7(9(6)12)10(13)14/h2-5,8,12H,1,11H2,(H,13,14).
What are the key properties of 3-(1-aminoprop-2-enyl)-2-hydroxybenzoic acid?
3-(1-aminoprop-2-enyl)-2-hydroxybenzoic acid has a molecular weight of 193.20 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoprop-2-enyl)-2-hydroxybenzoic acid is sourced from PubChem (CID 70184643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).