methyl 3-amino-4-propoxybenzoate

C11H15NO3 — CID 43380309

IUPACmethyl 3-amino-4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OC)cc1N
InChIInChI=1S/C11H15NO3/c1-3-6-15-10-5-4-8(7-9(10)12)11(13)14-2/h4-5,7H,3,6,12H2,1-2H3
InChIKeyCJQRGFWGVWRUTL-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.84
Rot. Bonds4

About methyl 3-amino-4-propoxybenzoate

methyl 3-amino-4-propoxybenzoate (PubChem CID 43380309) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is methyl 3-amino-4-propoxybenzoate.

Molecular Properties

Compound Namemethyl 3-amino-4-propoxybenzoate
PubChem CID43380309
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Namemethyl 3-amino-4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OC)cc1N
InChIInChI=1S/C11H15NO3/c1-3-6-15-10-5-4-8(7-9(10)12)11(13)14-2/h4-5,7H,3,6,12H2,1-2H3
InChIKeyCJQRGFWGVWRUTL-UHFFFAOYSA-N
XLogP1.84
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-amino-4-(2-phenoxyethoxy)benzoate
CID 61305621
methyl 3-amino-4-(4,4,4-trifluorobutoxy)benzoate
CID 113326564
methyl 3-amino-4-[2-(3-methylbutoxy)ethoxy]benzoate
CID 61484298
methyl 3-acetyl-4-propoxybenzoate
CID 18404776
2-(diethylamino)ethyl 3-amino-4-propoxybenzoate;trihydrochloride
CID 67947052
3-amino-4-(2-propoxyethoxy)benzamide
CID 63684317
methyl 4-amino-3-octoxybenzoate
CID 15434652
methyl 4-amino-3-nonoxybenzoate
CID 43380216
3-amino-N-(2-methylpropyl)-4-propoxybenzamide
CID 82070281
3-amino-N-(3-butoxypropyl)-4-propoxybenzamide
CID 110496597
methyl 3-amino-4-(4-cyano-4-methylpentoxy)benzoate
CID 65256099
methyl 3-amino-4-[(3,5-dimethylphenyl)methoxy]benzoate
CID 61029764

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-4-propoxybenzoate?
The IUPAC name of methyl 3-amino-4-propoxybenzoate (CID 43380309) is methyl 3-amino-4-propoxybenzoate.
What is the SMILES notation for methyl 3-amino-4-propoxybenzoate?
The canonical SMILES for methyl 3-amino-4-propoxybenzoate is CCCOc1ccc(C(=O)OC)cc1N.
What is the InChIKey of methyl 3-amino-4-propoxybenzoate?
The InChIKey is CJQRGFWGVWRUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-3-6-15-10-5-4-8(7-9(10)12)11(13)14-2/h4-5,7H,3,6,12H2,1-2H3.
What are the key properties of methyl 3-amino-4-propoxybenzoate?
methyl 3-amino-4-propoxybenzoate has a molecular weight of 209.25 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-4-propoxybenzoate is sourced from PubChem (CID 43380309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).