2-amino-3-(2-methylprop-2-enoyloxy)benzoic acid

C11H11NO4 — CID 23083813

IUPAC2-amino-3-(2-methylprop-2-enoyloxy)benzoic acid
SMILESC=C(C)C(=O)Oc1cccc(C(=O)O)c1N
InChIInChI=1S/C11H11NO4/c1-6(2)11(15)16-8-5-3-4-7(9(8)12)10(13)14/h3-5H,1,12H2,2H3,(H,13,14)
InChIKeyRICQAVSXJYBJQW-UHFFFAOYSA-N
MW221.21 g/mol
LogP1.45
Rot. Bonds3

About 2-amino-3-(2-methylprop-2-enoyloxy)benzoic acid

2-amino-3-(2-methylprop-2-enoyloxy)benzoic acid (PubChem CID 23083813) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 2-amino-3-(2-methylprop-2-enoyloxy)benzoic acid.

Molecular Properties

Compound Name2-amino-3-(2-methylprop-2-enoyloxy)benzoic acid
PubChem CID23083813
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name2-amino-3-(2-methylprop-2-enoyloxy)benzoic acid
SMILESC=C(C)C(=O)Oc1cccc(C(=O)O)c1N
InChIInChI=1S/C11H11NO4/c1-6(2)11(15)16-8-5-3-4-7(9(8)12)10(13)14/h3-5H,1,12H2,2H3,(H,13,14)
InChIKeyRICQAVSXJYBJQW-UHFFFAOYSA-N
XLogP1.45
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-amino-3-(2-methylprop-2-enoyloxy)benzoate
CID 118047130
(2-acetylphenyl) 2-methylprop-2-enoate
CID 19877902
[2-[1,2,2-tris[2-(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 162511991
[2-(2-aminobenzoyl)phenyl] 2-methylprop-2-enoate
CID 139968489
2-(2-methylprop-2-enoyloxy)benzoic acid;3-(2-methylprop-2-enoyloxy)benzoic acid
CID 118071852
3-(3-hydroxypropoxy)-2-(2-methylprop-2-enoyloxy)benzoic acid
CID 67925075
(2-carbonochloridoylphenyl) 2-methylprop-2-enoate
CID 100943837
methyl 2-amino-3-prop-1-en-2-yloxybenzoate
CID 147554214
2-aminobenzene-1,3-dicarboxylic acid;cobalt
CID 174944347
ethyl 2-methylprop-2-enoate;phthalic acid
CID 66831473
2-amino-3-butoxybenzoic acid
CID 61039870
2-amino-3-(2,6-dimethoxybenzoyl)benzoic acid
CID 67694082

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-methylprop-2-enoyloxy)benzoic acid?
The IUPAC name of 2-amino-3-(2-methylprop-2-enoyloxy)benzoic acid (CID 23083813) is 2-amino-3-(2-methylprop-2-enoyloxy)benzoic acid.
What is the SMILES notation for 2-amino-3-(2-methylprop-2-enoyloxy)benzoic acid?
The canonical SMILES for 2-amino-3-(2-methylprop-2-enoyloxy)benzoic acid is C=C(C)C(=O)Oc1cccc(C(=O)O)c1N.
What is the InChIKey of 2-amino-3-(2-methylprop-2-enoyloxy)benzoic acid?
The InChIKey is RICQAVSXJYBJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-6(2)11(15)16-8-5-3-4-7(9(8)12)10(13)14/h3-5H,1,12H2,2H3,(H,13,14).
What are the key properties of 2-amino-3-(2-methylprop-2-enoyloxy)benzoic acid?
2-amino-3-(2-methylprop-2-enoyloxy)benzoic acid has a molecular weight of 221.21 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-methylprop-2-enoyloxy)benzoic acid is sourced from PubChem (CID 23083813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).