butylamino benzoate

C11H15NO2 — CID 57121553

IUPACbutylamino benzoate
SMILESCCCCNOC(=O)c1ccccc1
InChIInChI=1S/C11H15NO2/c1-2-3-9-12-14-11(13)10-7-5-4-6-8-10/h4-8,12H,2-3,9H2,1H3
InChIKeyWYNURVZXDYZDKR-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.15
Rot. Bonds5

About butylamino benzoate

butylamino benzoate (PubChem CID 57121553) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is butylamino benzoate.

Molecular Properties

Compound Namebutylamino benzoate
PubChem CID57121553
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namebutylamino benzoate
SMILESCCCCNOC(=O)c1ccccc1
InChIInChI=1S/C11H15NO2/c1-2-3-9-12-14-11(13)10-7-5-4-6-8-10/h4-8,12H,2-3,9H2,1H3
InChIKeyWYNURVZXDYZDKR-UHFFFAOYSA-N
XLogP2.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Ammonium Benzoate
CID 15830
Ethanol, 2-amino-, benzoate (1:1)
CID 20343
Benzoic acid, compd. with cyclohexanamine (1:1)
CID 197016
2-Aminoethanol;benzoic acid
CID 11535682
Tetrabutylammonium Benzoate
CID 10981353
Tetraethylammonium benzoate
CID 85637
4-(2-Aminoethyl)benzoic acid
CID 506066
Dibenzhydroxamic acid
CID 94873
Dimethylamonium 2,3,5-triiodobenzoate
CID 28637
Tert-butyl benzoyloxycarbamate
CID 10037153
1,4-Benzenedicarboxylic acid, compd. with 1,6-hexanediamine (1:1)
CID 102377
3-(2-Aminoethyl)benzoic acid
CID 506077

Frequently Asked Questions

What is the IUPAC name of butylamino benzoate?
The IUPAC name of butylamino benzoate (CID 57121553) is butylamino benzoate.
What is the SMILES notation for butylamino benzoate?
The canonical SMILES for butylamino benzoate is CCCCNOC(=O)c1ccccc1.
What is the InChIKey of butylamino benzoate?
The InChIKey is WYNURVZXDYZDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-3-9-12-14-11(13)10-7-5-4-6-8-10/h4-8,12H,2-3,9H2,1H3.
What are the key properties of butylamino benzoate?
butylamino benzoate has a molecular weight of 193.25 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butylamino benzoate is sourced from PubChem (CID 57121553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).