5-amino-2-hydroxy-3-prop-2-enylbenzoic acid

C10H11NO3 — CID 67985196

IUPAC5-amino-2-hydroxy-3-prop-2-enylbenzoic acid
SMILESC=CCc1cc(N)cc(C(=O)O)c1O
InChIInChI=1S/C10H11NO3/c1-2-3-6-4-7(11)5-8(9(6)12)10(13)14/h2,4-5,12H,1,3,11H2,(H,13,14)
InChIKeyIQVIWMUCPHOTSZ-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.40
Rot. Bonds3

About 5-amino-2-hydroxy-3-prop-2-enylbenzoic acid

5-amino-2-hydroxy-3-prop-2-enylbenzoic acid (PubChem CID 67985196) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 5-amino-2-hydroxy-3-prop-2-enylbenzoic acid.

Molecular Properties

Compound Name5-amino-2-hydroxy-3-prop-2-enylbenzoic acid
PubChem CID67985196
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name5-amino-2-hydroxy-3-prop-2-enylbenzoic acid
SMILESC=CCc1cc(N)cc(C(=O)O)c1O
InChIInChI=1S/C10H11NO3/c1-2-3-6-4-7(11)5-8(9(6)12)10(13)14/h2,4-5,12H,1,3,11H2,(H,13,14)
InChIKeyIQVIWMUCPHOTSZ-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-3,5-bis(prop-2-enyl)benzamide
CID 70425276
5-formyl-2-(5-formyl-2-hydroxy-3-prop-2-enylbenzoyl)oxy-3-prop-2-enylbenzoic acid
CID 90870427
2-prop-2-enylbenzoic acid
CID 2752991
3-hydroxy-2-methyl-4-prop-2-enylbenzoic acid
CID 90408616
4-amino-2-prop-2-enoxycarbonylbenzoic acid
CID 54562538
5-amino-3-[(4-tert-butylphenoxy)methyl]-2-hydroxybenzoic acid
CID 142919249
3,5-dihydroxy-2-prop-2-enylterephthalic acid
CID 87696184
5-amino-2-hydroxy-3-methoxybenzoic acid
CID 50883012
bis(2-hydroxy-3-methoxy-5-prop-2-enylbenzoic acid);zinc
CID 175804048
4-[2-(4-carboxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzoic acid
CID 139984801
4-hydroxy-3-prop-2-enylbenzoic acid;zinc
CID 67875987
5-amino-2-hydroxy-3-sulfobenzoic acid;azane
CID 88831119

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-hydroxy-3-prop-2-enylbenzoic acid?
The IUPAC name of 5-amino-2-hydroxy-3-prop-2-enylbenzoic acid (CID 67985196) is 5-amino-2-hydroxy-3-prop-2-enylbenzoic acid.
What is the SMILES notation for 5-amino-2-hydroxy-3-prop-2-enylbenzoic acid?
The canonical SMILES for 5-amino-2-hydroxy-3-prop-2-enylbenzoic acid is C=CCc1cc(N)cc(C(=O)O)c1O.
What is the InChIKey of 5-amino-2-hydroxy-3-prop-2-enylbenzoic acid?
The InChIKey is IQVIWMUCPHOTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-2-3-6-4-7(11)5-8(9(6)12)10(13)14/h2,4-5,12H,1,3,11H2,(H,13,14).
What are the key properties of 5-amino-2-hydroxy-3-prop-2-enylbenzoic acid?
5-amino-2-hydroxy-3-prop-2-enylbenzoic acid has a molecular weight of 193.20 g/mol, XLogP of 1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-hydroxy-3-prop-2-enylbenzoic acid is sourced from PubChem (CID 67985196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).