amino 3-methoxy-4-methylbenzoate

C9H11NO3 — CID 175307316

IUPACamino 3-methoxy-4-methylbenzoate
SMILESCOc1cc(C(=O)ON)ccc1C
InChIInChI=1S/C9H11NO3/c1-6-3-4-7(9(11)13-10)5-8(6)12-2/h3-5H,10H2,1-2H3
InChIKeyILCYEIAVVZXYRD-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.03
Rot. Bonds2

About amino 3-methoxy-4-methylbenzoate

amino 3-methoxy-4-methylbenzoate (PubChem CID 175307316) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is amino 3-methoxy-4-methylbenzoate.

Molecular Properties

Compound Nameamino 3-methoxy-4-methylbenzoate
PubChem CID175307316
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Nameamino 3-methoxy-4-methylbenzoate
SMILESCOc1cc(C(=O)ON)ccc1C
InChIInChI=1S/C9H11NO3/c1-6-3-4-7(9(11)13-10)5-8(6)12-2/h3-5H,10H2,1-2H3
InChIKeyILCYEIAVVZXYRD-UHFFFAOYSA-N
XLogP1.03
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dihydroxypyrrol-1-yl) 3-methoxy-4-methylbenzoate
CID 57230633
1-(3-methoxy-4-methylphenyl)propan-1-one
CID 71349712
methyl 3-[(3-methoxy-4-methylbenzoyl)amino]-4-methylbenzoate
CID 16604939
N-cyclopropyl-2-[2-(3-methoxy-4-methylbenzoyl)hydrazinyl]-2-oxoacetamide
CID 8532471
N-(2-aminoethyl)-3-methoxy-4-methylbenzamide
CID 18071038
N-(4-aminocyclohexyl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119474495
2-cyclopentyl-1-(3-methoxy-4-methylphenyl)ethanone
CID 114969347
N-(2-amino-4,5-dimethylphenyl)-3-methoxy-4-methylbenzamide
CID 62099101
(3,4-dimethylphenyl) 3,4-dimethoxybenzoate
CID 723808
(2,6-difluoro-3-methylphenyl)-(3-methoxy-4-methylphenyl)methanone
CID 115794368
(3-methoxy-4-methylphenyl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171947071
N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-methylbenzamide
CID 120507834

Frequently Asked Questions

What is the IUPAC name of amino 3-methoxy-4-methylbenzoate?
The IUPAC name of amino 3-methoxy-4-methylbenzoate (CID 175307316) is amino 3-methoxy-4-methylbenzoate.
What is the SMILES notation for amino 3-methoxy-4-methylbenzoate?
The canonical SMILES for amino 3-methoxy-4-methylbenzoate is COc1cc(C(=O)ON)ccc1C.
What is the InChIKey of amino 3-methoxy-4-methylbenzoate?
The InChIKey is ILCYEIAVVZXYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-6-3-4-7(9(11)13-10)5-8(6)12-2/h3-5H,10H2,1-2H3.
What are the key properties of amino 3-methoxy-4-methylbenzoate?
amino 3-methoxy-4-methylbenzoate has a molecular weight of 181.19 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino 3-methoxy-4-methylbenzoate is sourced from PubChem (CID 175307316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).