2-amino-4-(2-methylprop-1-enyl)benzoic acid

C11H13NO2 — CID 138696621

IUPAC2-amino-4-(2-methylprop-1-enyl)benzoic acid
SMILESCC(C)=Cc1ccc(C(=O)O)c(N)c1
InChIInChI=1S/C11H13NO2/c1-7(2)5-8-3-4-9(11(13)14)10(12)6-8/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeyFOSBPWYRPXTZFF-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.39
Rot. Bonds2

About 2-amino-4-(2-methylprop-1-enyl)benzoic acid

2-amino-4-(2-methylprop-1-enyl)benzoic acid (PubChem CID 138696621) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-amino-4-(2-methylprop-1-enyl)benzoic acid.

Molecular Properties

Compound Name2-amino-4-(2-methylprop-1-enyl)benzoic acid
PubChem CID138696621
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-amino-4-(2-methylprop-1-enyl)benzoic acid
SMILESCC(C)=Cc1ccc(C(=O)O)c(N)c1
InChIInChI=1S/C11H13NO2/c1-7(2)5-8-3-4-9(11(13)14)10(12)6-8/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeyFOSBPWYRPXTZFF-UHFFFAOYSA-N
XLogP2.39
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-ethanethioylbenzoic acid
CID 174647999
tris(2-aminoterephthalic acid);iron
CID 146020005
3-(2-methylprop-1-enyl)benzoic acid
CID 144799452
3-(3,4-diaminophenyl)-2-methylprop-2-enoic acid
CID 69361395
cesium 3-amino-4-carboxyphenolate
CID 23698247
2-amino-4-propanoylbenzoic acid
CID 119001727
2-amino-4-(1-iodoethyl)benzoic acid
CID 174433764
4-(2,2-dibromoethenyl)-2-methylbenzoic acid
CID 170158021
2-methyl-4-[(E)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-enyl]benzoic acid
CID 69186533
3-(3-amino-4-methoxycarbonylphenyl)prop-2-enoic acid
CID 169460854
2-amino-4-[(4-amino-3-carboxyphenyl)methyl]benzoic acid
CID 928521
3-amino-4-carboxybenzenesulfinate
CID 57010067

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-methylprop-1-enyl)benzoic acid?
The IUPAC name of 2-amino-4-(2-methylprop-1-enyl)benzoic acid (CID 138696621) is 2-amino-4-(2-methylprop-1-enyl)benzoic acid.
What is the SMILES notation for 2-amino-4-(2-methylprop-1-enyl)benzoic acid?
The canonical SMILES for 2-amino-4-(2-methylprop-1-enyl)benzoic acid is CC(C)=Cc1ccc(C(=O)O)c(N)c1.
What is the InChIKey of 2-amino-4-(2-methylprop-1-enyl)benzoic acid?
The InChIKey is FOSBPWYRPXTZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-7(2)5-8-3-4-9(11(13)14)10(12)6-8/h3-6H,12H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-4-(2-methylprop-1-enyl)benzoic acid?
2-amino-4-(2-methylprop-1-enyl)benzoic acid has a molecular weight of 191.23 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-methylprop-1-enyl)benzoic acid is sourced from PubChem (CID 138696621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).