methyl 5-amino-2-(methoxymethoxy)benzoate

C10H13NO4 — CID 106955744

IUPACmethyl 5-amino-2-(methoxymethoxy)benzoate
SMILESCOCOc1ccc(N)cc1C(=O)OC
InChIInChI=1S/C10H13NO4/c1-13-6-15-9-4-3-7(11)5-8(9)10(12)14-2/h3-5H,6,11H2,1-2H3
InChIKeyYNZASAHHGJTEAH-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.04
Rot. Bonds4

About methyl 5-amino-2-(methoxymethoxy)benzoate

methyl 5-amino-2-(methoxymethoxy)benzoate (PubChem CID 106955744) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is methyl 5-amino-2-(methoxymethoxy)benzoate.

Molecular Properties

Compound Namemethyl 5-amino-2-(methoxymethoxy)benzoate
PubChem CID106955744
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Namemethyl 5-amino-2-(methoxymethoxy)benzoate
SMILESCOCOc1ccc(N)cc1C(=O)OC
InChIInChI=1S/C10H13NO4/c1-13-6-15-9-4-3-7(11)5-8(9)10(12)14-2/h3-5H,6,11H2,1-2H3
InChIKeyYNZASAHHGJTEAH-UHFFFAOYSA-N
XLogP1.04
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 5-amino-2-(2-methylpropoxy)benzoate
CID 61307222
methyl 5-amino-2-(2-methylprop-2-enoxy)benzoate
CID 89468662
methyl 5-amino-2-heptoxybenzoate
CID 61306699
methyl 5-amino-2-iodooxybenzoate
CID 170212136
methyl 5-amino-2-(3-ethylsulfonylpropoxy)benzoate
CID 106955849
methyl 5-amino-2-[(4-chlorophenyl)methoxy]benzoate
CID 65126151
methyl 5-amino-2-[(4-bromophenyl)methoxy]benzoate
CID 82824196
2-(4-amino-2-methoxycarbonylphenoxy)propanoic acid
CID 106955759
methyl 5-amino-2-[2-(trifluoromethylsulfanyl)ethoxy]benzoate
CID 106955881
methyl 4-amino-2-sulfanylbenzoate
CID 91874278
methyl 5-amino-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]benzoate
CID 106955798
methyl 5-amino-2-[(3-bromophenyl)methoxy]benzoate
CID 82831709

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-(methoxymethoxy)benzoate?
The IUPAC name of methyl 5-amino-2-(methoxymethoxy)benzoate (CID 106955744) is methyl 5-amino-2-(methoxymethoxy)benzoate.
What is the SMILES notation for methyl 5-amino-2-(methoxymethoxy)benzoate?
The canonical SMILES for methyl 5-amino-2-(methoxymethoxy)benzoate is COCOc1ccc(N)cc1C(=O)OC.
What is the InChIKey of methyl 5-amino-2-(methoxymethoxy)benzoate?
The InChIKey is YNZASAHHGJTEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-13-6-15-9-4-3-7(11)5-8(9)10(12)14-2/h3-5H,6,11H2,1-2H3.
What are the key properties of methyl 5-amino-2-(methoxymethoxy)benzoate?
methyl 5-amino-2-(methoxymethoxy)benzoate has a molecular weight of 211.22 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-(methoxymethoxy)benzoate is sourced from PubChem (CID 106955744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).