oxetan-3-yl 5-amino-2-methylbenzoate

C11H13NO3 — CID 115669808

IUPACoxetan-3-yl 5-amino-2-methylbenzoate
SMILESCc1ccc(N)cc1C(=O)OC1COC1
InChIInChI=1S/C11H13NO3/c1-7-2-3-8(12)4-10(7)11(13)15-9-5-14-6-9/h2-4,9H,5-6,12H2,1H3
InChIKeyFDTDZUNQBJLQOQ-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.13
Rot. Bonds2

About oxetan-3-yl 5-amino-2-methylbenzoate

oxetan-3-yl 5-amino-2-methylbenzoate (PubChem CID 115669808) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is oxetan-3-yl 5-amino-2-methylbenzoate.

Molecular Properties

Compound Nameoxetan-3-yl 5-amino-2-methylbenzoate
PubChem CID115669808
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Nameoxetan-3-yl 5-amino-2-methylbenzoate
SMILESCc1ccc(N)cc1C(=O)OC1COC1
InChIInChI=1S/C11H13NO3/c1-7-2-3-8(12)4-10(7)11(13)15-9-5-14-6-9/h2-4,9H,5-6,12H2,1H3
InChIKeyFDTDZUNQBJLQOQ-UHFFFAOYSA-N
XLogP1.13
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.13
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

oxetan-3-yl 4-amino-2-hydroxybenzoate
CID 102606824
oxetan-3-yl 4-methylthiophene-3-carboxylate
CID 130619273
oxan-4-yl 2-methyl-5-sulfamoylbenzoate
CID 65382296
oxetan-3-yl 3-methylthiophene-2-carboxylate
CID 130619272
6-oxaspiro[4.5]decan-9-yl 4-amino-2-methylbenzoate
CID 79909247
cyclohexyl 5-amino-2-(dimethylamino)benzoate
CID 61308483
oxan-4-yl 2,4-diaminobenzoate
CID 61308285
2-(oxolan-2-yl)ethyl 5-amino-2-methylbenzoate
CID 65166146
3-(5-amino-2-methylbenzoyl)oxypropanoic acid
CID 63950145
[1-(cyclopropylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate
CID 61322475
(5-amino-2-methylphenyl)-(3-methylmorpholin-4-yl)methanone;hydrochloride
CID 120623273
5-oxaspiro[3.5]nonan-8-yl 5-amino-2-methoxybenzoate
CID 79908727

Frequently Asked Questions

What is the IUPAC name of oxetan-3-yl 5-amino-2-methylbenzoate?
The IUPAC name of oxetan-3-yl 5-amino-2-methylbenzoate (CID 115669808) is oxetan-3-yl 5-amino-2-methylbenzoate.
What is the SMILES notation for oxetan-3-yl 5-amino-2-methylbenzoate?
The canonical SMILES for oxetan-3-yl 5-amino-2-methylbenzoate is Cc1ccc(N)cc1C(=O)OC1COC1.
What is the InChIKey of oxetan-3-yl 5-amino-2-methylbenzoate?
The InChIKey is FDTDZUNQBJLQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-7-2-3-8(12)4-10(7)11(13)15-9-5-14-6-9/h2-4,9H,5-6,12H2,1H3.
What are the key properties of oxetan-3-yl 5-amino-2-methylbenzoate?
oxetan-3-yl 5-amino-2-methylbenzoate has a molecular weight of 207.23 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-3-yl 5-amino-2-methylbenzoate is sourced from PubChem (CID 115669808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).