3-methoxypropyl 2-aminobenzoate

C11H15NO3 — CID 61278385

IUPAC3-methoxypropyl 2-aminobenzoate
SMILESCOCCCOC(=O)c1ccccc1N
InChIInChI=1S/C11H15NO3/c1-14-7-4-8-15-11(13)9-5-2-3-6-10(9)12/h2-3,5-6H,4,7-8,12H2,1H3
InChIKeyCLPPDFIWPSIAGB-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.46
Rot. Bonds5

About 3-methoxypropyl 2-aminobenzoate

3-methoxypropyl 2-aminobenzoate (PubChem CID 61278385) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-methoxypropyl 2-aminobenzoate.

Molecular Properties

Compound Name3-methoxypropyl 2-aminobenzoate
PubChem CID61278385
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name3-methoxypropyl 2-aminobenzoate
SMILESCOCCCOC(=O)c1ccccc1N
InChIInChI=1S/C11H15NO3/c1-14-7-4-8-15-11(13)9-5-2-3-6-10(9)12/h2-3,5-6H,4,7-8,12H2,1H3
InChIKeyCLPPDFIWPSIAGB-UHFFFAOYSA-N
XLogP1.46
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

bis(4-methoxybutyl) benzene-1,2-dicarboxylate
CID 57031547
2-(3-methoxypropoxycarbonyl)benzoic acid
CID 150715218
3-methoxypropyl 2-fluorobenzoate
CID 63297243
dodecyl 2-aminobenzoate
CID 5095316
2-methoxyethyl 3-amino-2-methylbenzoate
CID 19804739
2-(2-ethoxyethoxy)ethyl 2-aminobenzoate
CID 82096864
2-trimethylsilylethyl 2-aminobenzoate
CID 154264553
ethyl 2-(3-methoxypropoxy)benzoate
CID 54075069
1-O-hexadecyl 2-O-(2-methoxyethyl) benzene-1,2-dicarboxylate
CID 6423568
2-amino-N-(3-methoxypropyl)-N-methylbenzamide
CID 62983937
[10-[8-(2-aminobenzoyl)oxyoctyl]-9-nonylnonadecyl] 2-aminobenzoate
CID 11468402
pent-3-enyl 2-aminobenzoate
CID 85151102

Frequently Asked Questions

What is the IUPAC name of 3-methoxypropyl 2-aminobenzoate?
The IUPAC name of 3-methoxypropyl 2-aminobenzoate (CID 61278385) is 3-methoxypropyl 2-aminobenzoate.
What is the SMILES notation for 3-methoxypropyl 2-aminobenzoate?
The canonical SMILES for 3-methoxypropyl 2-aminobenzoate is COCCCOC(=O)c1ccccc1N.
What is the InChIKey of 3-methoxypropyl 2-aminobenzoate?
The InChIKey is CLPPDFIWPSIAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-14-7-4-8-15-11(13)9-5-2-3-6-10(9)12/h2-3,5-6H,4,7-8,12H2,1H3.
What are the key properties of 3-methoxypropyl 2-aminobenzoate?
3-methoxypropyl 2-aminobenzoate has a molecular weight of 209.25 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypropyl 2-aminobenzoate is sourced from PubChem (CID 61278385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).