butyl 2-aminobenzoate

C11H15NO2 — CID 24433

IUPACbutyl 2-aminobenzoate
SMILESCCCCOC(=O)c1ccccc1N
InChIInChI=1S/C11H15NO2/c1-2-3-8-14-11(13)9-6-4-5-7-10(9)12/h4-7H,2-3,8,12H2,1H3
InChIKeyHUIYGGQINIVDNW-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.23
Rot. Bonds4

About butyl 2-aminobenzoate

butyl 2-aminobenzoate (PubChem CID 24433) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is butyl 2-aminobenzoate.

Molecular Properties

Compound Namebutyl 2-aminobenzoate
PubChem CID24433
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namebutyl 2-aminobenzoate
SMILESCCCCOC(=O)c1ccccc1N
InChIInChI=1S/C11H15NO2/c1-2-3-8-14-11(13)9-6-4-5-7-10(9)12/h4-7H,2-3,8,12H2,1H3
InChIKeyHUIYGGQINIVDNW-UHFFFAOYSA-N
XLogP2.23
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Anthranilic Acid
CID 227
Benzocaine
CID 2337
Methyl Anthranilate
CID 8635
Butyl 4-aminobenzoate
CID 2482
Methyl N-methylanthranilate
CID 6826
Linalyl anthranilate
CID 23535
Cinnamyl Anthranilate
CID 5284369
Ethyl 2-aminobenzoate
CID 6877
Phenethyl anthranilate
CID 8615
Ethyl 3-aminobenzoate
CID 11400
Risocaine
CID 7174
Isobutamben
CID 7176

Frequently Asked Questions

What is the IUPAC name of butyl 2-aminobenzoate?
The IUPAC name of butyl 2-aminobenzoate (CID 24433) is butyl 2-aminobenzoate.
What is the SMILES notation for butyl 2-aminobenzoate?
The canonical SMILES for butyl 2-aminobenzoate is CCCCOC(=O)c1ccccc1N.
What is the InChIKey of butyl 2-aminobenzoate?
The InChIKey is HUIYGGQINIVDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-3-8-14-11(13)9-6-4-5-7-10(9)12/h4-7H,2-3,8,12H2,1H3.
What are the key properties of butyl 2-aminobenzoate?
butyl 2-aminobenzoate has a molecular weight of 193.25 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-aminobenzoate is sourced from PubChem (CID 24433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).