methyl 2-amino-5-propan-2-yloxybenzoate

C11H15NO3 — CID 13052308

IUPACmethyl 2-amino-5-propan-2-yloxybenzoate
SMILESCOC(=O)c1cc(OC(C)C)ccc1N
InChIInChI=1S/C11H15NO3/c1-7(2)15-8-4-5-10(12)9(6-8)11(13)14-3/h4-7H,12H2,1-3H3
InChIKeyZPLOXNIWFQQOTQ-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.84
Rot. Bonds3

About methyl 2-amino-5-propan-2-yloxybenzoate

methyl 2-amino-5-propan-2-yloxybenzoate (PubChem CID 13052308) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is methyl 2-amino-5-propan-2-yloxybenzoate.

Molecular Properties

Compound Namemethyl 2-amino-5-propan-2-yloxybenzoate
PubChem CID13052308
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Namemethyl 2-amino-5-propan-2-yloxybenzoate
SMILESCOC(=O)c1cc(OC(C)C)ccc1N
InChIInChI=1S/C11H15NO3/c1-7(2)15-8-4-5-10(12)9(6-8)11(13)14-3/h4-7H,12H2,1-3H3
InChIKeyZPLOXNIWFQQOTQ-UHFFFAOYSA-N
XLogP1.84
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
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 2-amino-5-methoxybenzoate
CID 13052275
methyl 2-amino-5-(1,1,1-trifluoropropan-2-yloxy)benzoate
CID 66276994
methyl 2-amino-4,5-di(propan-2-yloxy)benzoate
CID 82553168
methyl 2-amino-5-(3,4-dimethylphenoxy)benzoate
CID 63423501
methyl 2-amino-5-[2-[di(propan-2-yl)amino]ethoxy]benzoate
CID 115505666
methyl 2-amino-4-methoxy-5-propan-2-yloxybenzoate
CID 84799543
methyl 2-amino-5-(3-methoxyphenoxy)benzoate
CID 61313873
methyl 2-amino-5-(2-methoxyphenoxy)benzoate
CID 61306841
methyl 2-amino-5-bromobenzoate;hydrobromide
CID 162716594
CID 144556963
CID 144556963
methyl 2-amino-5-(1-propan-2-ylpyrazol-4-yl)oxybenzoate
CID 116802590
[1-(carbamoylamino)-1-oxopropan-2-yl] 2-amino-5-methoxybenzoate
CID 61320723

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-propan-2-yloxybenzoate?
The IUPAC name of methyl 2-amino-5-propan-2-yloxybenzoate (CID 13052308) is methyl 2-amino-5-propan-2-yloxybenzoate.
What is the SMILES notation for methyl 2-amino-5-propan-2-yloxybenzoate?
The canonical SMILES for methyl 2-amino-5-propan-2-yloxybenzoate is COC(=O)c1cc(OC(C)C)ccc1N.
What is the InChIKey of methyl 2-amino-5-propan-2-yloxybenzoate?
The InChIKey is ZPLOXNIWFQQOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7(2)15-8-4-5-10(12)9(6-8)11(13)14-3/h4-7H,12H2,1-3H3.
What are the key properties of methyl 2-amino-5-propan-2-yloxybenzoate?
methyl 2-amino-5-propan-2-yloxybenzoate has a molecular weight of 209.24 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-propan-2-yloxybenzoate is sourced from PubChem (CID 13052308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).