methyl 2-amino-6-(2-oxo-2-propan-2-yloxyethoxy)benzoate

C13H17NO5 — CID 107341945

IUPACmethyl 2-amino-6-(2-oxo-2-propan-2-yloxyethoxy)benzoate
SMILESCOC(=O)c1c(N)cccc1OCC(=O)OC(C)C
InChIInChI=1S/C13H17NO5/c1-8(2)19-11(15)7-18-10-6-4-5-9(14)12(10)13(16)17-3/h4-6,8H,7,14H2,1-3H3
InChIKeyJGIRHFYUBNHOAM-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.39
Rot. Bonds5

About methyl 2-amino-6-(2-oxo-2-propan-2-yloxyethoxy)benzoate

methyl 2-amino-6-(2-oxo-2-propan-2-yloxyethoxy)benzoate (PubChem CID 107341945) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is methyl 2-amino-6-(2-oxo-2-propan-2-yloxyethoxy)benzoate.

Molecular Properties

Compound Namemethyl 2-amino-6-(2-oxo-2-propan-2-yloxyethoxy)benzoate
PubChem CID107341945
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Namemethyl 2-amino-6-(2-oxo-2-propan-2-yloxyethoxy)benzoate
SMILESCOC(=O)c1c(N)cccc1OCC(=O)OC(C)C
InChIInChI=1S/C13H17NO5/c1-8(2)19-11(15)7-18-10-6-4-5-9(14)12(10)13(16)17-3/h4-6,8H,7,14H2,1-3H3
InChIKeyJGIRHFYUBNHOAM-UHFFFAOYSA-N
XLogP1.39
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-amino-6-(3-hydroxybutoxy)benzoate
CID 107341826
methyl 2-amino-6-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzoate
CID 107341978
methyl 2-amino-6-(2,2-difluoroethoxy)benzoate
CID 107341765
methyl 2-amino-6-(3-methoxypropoxy)benzoate
CID 107341764
methyl 2-amino-6-(3-ethoxypropoxy)benzoate
CID 107341819
methyl 2-amino-6-(3-amino-3-oxopropoxy)benzoate
CID 107341796
3-(3-amino-2-methoxycarbonylphenoxy)-2,2-dimethylpropanoic acid
CID 107341870
propan-2-yl 2-(2-fluoro-3-methylphenoxy)acetate
CID 103988371
(2-oxo-2-propan-2-yloxyethyl) 2-amino-6-chlorobenzoate
CID 63661316
methyl 2-amino-6-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]benzoate
CID 107341890
methyl 2-amino-6-[(2-methylphenyl)methoxy]benzoate
CID 107341726
methyl 2-amino-6-[(4-chlorophenyl)methoxy]benzoate
CID 107341908

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-(2-oxo-2-propan-2-yloxyethoxy)benzoate?
The IUPAC name of methyl 2-amino-6-(2-oxo-2-propan-2-yloxyethoxy)benzoate (CID 107341945) is methyl 2-amino-6-(2-oxo-2-propan-2-yloxyethoxy)benzoate.
What is the SMILES notation for methyl 2-amino-6-(2-oxo-2-propan-2-yloxyethoxy)benzoate?
The canonical SMILES for methyl 2-amino-6-(2-oxo-2-propan-2-yloxyethoxy)benzoate is COC(=O)c1c(N)cccc1OCC(=O)OC(C)C.
What is the InChIKey of methyl 2-amino-6-(2-oxo-2-propan-2-yloxyethoxy)benzoate?
The InChIKey is JGIRHFYUBNHOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-8(2)19-11(15)7-18-10-6-4-5-9(14)12(10)13(16)17-3/h4-6,8H,7,14H2,1-3H3.
What are the key properties of methyl 2-amino-6-(2-oxo-2-propan-2-yloxyethoxy)benzoate?
methyl 2-amino-6-(2-oxo-2-propan-2-yloxyethoxy)benzoate has a molecular weight of 267.28 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-6-(2-oxo-2-propan-2-yloxyethoxy)benzoate is sourced from PubChem (CID 107341945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).