propyl 2-amino-5-methoxybenzoate

C11H15NO3 — CID 60837149

IUPACpropyl 2-amino-5-methoxybenzoate
SMILESCCCOC(=O)c1cc(OC)ccc1N
InChIInChI=1S/C11H15NO3/c1-3-6-15-11(13)9-7-8(14-2)4-5-10(9)12/h4-5,7H,3,6,12H2,1-2H3
InChIKeyXLJWHMBQZBPTOV-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.84
Rot. Bonds4

About propyl 2-amino-5-methoxybenzoate

propyl 2-amino-5-methoxybenzoate (PubChem CID 60837149) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is propyl 2-amino-5-methoxybenzoate.

Molecular Properties

Compound Namepropyl 2-amino-5-methoxybenzoate
PubChem CID60837149
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Namepropyl 2-amino-5-methoxybenzoate
SMILESCCCOC(=O)c1cc(OC)ccc1N
InChIInChI=1S/C11H15NO3/c1-3-6-15-11(13)9-7-8(14-2)4-5-10(9)12/h4-5,7H,3,6,12H2,1-2H3
InChIKeyXLJWHMBQZBPTOV-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

[3-(ethylamino)-3-oxopropyl] 2-amino-5-methoxybenzoate
CID 62325038
methyl 2-amino-5-methoxybenzoate
CID 13052275
3-methylsulfanylpropyl 2-amino-5-methoxybenzoate
CID 113344029
2-(3-methylbutoxy)ethyl 2-amino-5-methoxybenzoate
CID 61484696
propyl 2-amino-5-propan-2-ylbenzoate
CID 60835483
2-amino-5-methoxybenzoic acid;hydrochloride
CID 15618229
propyl 2-amino-5-bromo-4-methoxybenzoate
CID 79401743
2-amino-5-methoxy-N-propylbenzamide
CID 60954595
propyl 2-amino-5-(trifluoromethyl)benzoate
CID 66270281
2-(2-amino-5-methoxybenzoyl)oxybutanoic acid
CID 64663412
(4-fluorophenyl)methyl 2-amino-5-methoxybenzoate
CID 61321680
2-amino-5-methoxybenzamide;ethane
CID 142071126

Frequently Asked Questions

What is the IUPAC name of propyl 2-amino-5-methoxybenzoate?
The IUPAC name of propyl 2-amino-5-methoxybenzoate (CID 60837149) is propyl 2-amino-5-methoxybenzoate.
What is the SMILES notation for propyl 2-amino-5-methoxybenzoate?
The canonical SMILES for propyl 2-amino-5-methoxybenzoate is CCCOC(=O)c1cc(OC)ccc1N.
What is the InChIKey of propyl 2-amino-5-methoxybenzoate?
The InChIKey is XLJWHMBQZBPTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-3-6-15-11(13)9-7-8(14-2)4-5-10(9)12/h4-5,7H,3,6,12H2,1-2H3.
What are the key properties of propyl 2-amino-5-methoxybenzoate?
propyl 2-amino-5-methoxybenzoate 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 propyl 2-amino-5-methoxybenzoate is sourced from PubChem (CID 60837149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).