methoxymethyl 2-amino-6-chlorobenzoate

C9H10ClNO3 — CID 65364299

IUPACmethoxymethyl 2-amino-6-chlorobenzoate
SMILESCOCOC(=O)c1c(N)cccc1Cl
InChIInChI=1S/C9H10ClNO3/c1-13-5-14-9(12)8-6(10)3-2-4-7(8)11/h2-4H,5,11H2,1H3
InChIKeyLIGHHXDLHXDCOY-UHFFFAOYSA-N
MW215.64 g/mol
LogP1.68
Rot. Bonds3

About methoxymethyl 2-amino-6-chlorobenzoate

methoxymethyl 2-amino-6-chlorobenzoate (PubChem CID 65364299) has the molecular formula C9H10ClNO3 and a molecular weight of 215.64 g/mol. Its IUPAC name is methoxymethyl 2-amino-6-chlorobenzoate.

Molecular Properties

Compound Namemethoxymethyl 2-amino-6-chlorobenzoate
PubChem CID65364299
Molecular FormulaC9H10ClNO3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC Namemethoxymethyl 2-amino-6-chlorobenzoate
SMILESCOCOC(=O)c1c(N)cccc1Cl
InChIInChI=1S/C9H10ClNO3/c1-13-5-14-9(12)8-6(10)3-2-4-7(8)11/h2-4H,5,11H2,1H3
InChIKeyLIGHHXDLHXDCOY-UHFFFAOYSA-N
XLogP1.68
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-amino-6-chlorobenzoate
CID 104563019
methyl 2-amino-6-chlorobenzoate;hydrochloride
CID 84819290
(2-ethoxy-2-oxoethyl) 2-amino-6-chlorobenzoate
CID 63663104
(4-ethylphenyl)methyl 2-amino-6-chlorobenzoate
CID 63663287
2,2,2-trifluoroethyl 2-amino-6-chlorobenzoate
CID 63661327
(3-amino-3-oxopropyl) 2-amino-6-chlorobenzoate
CID 63662731
[2-(ethylamino)-2-oxoethyl] 2-amino-6-chlorobenzoate
CID 63662207
(2-oxo-2-propan-2-yloxyethyl) 2-amino-6-chlorobenzoate
CID 63661316
[2-(3-methoxypropylamino)-2-oxoethyl] 2-amino-6-chlorobenzoate
CID 63662025
[2-(butylamino)-2-oxoethyl] 2-amino-6-chlorobenzoate
CID 63663469
(2-chloro-6-fluorophenyl)methyl 2-amino-6-chlorobenzoate
CID 63661844
cyclopentylmethyl 2-amino-6-chlorobenzoate
CID 63660959

Frequently Asked Questions

What is the IUPAC name of methoxymethyl 2-amino-6-chlorobenzoate?
The IUPAC name of methoxymethyl 2-amino-6-chlorobenzoate (CID 65364299) is methoxymethyl 2-amino-6-chlorobenzoate.
What is the SMILES notation for methoxymethyl 2-amino-6-chlorobenzoate?
The canonical SMILES for methoxymethyl 2-amino-6-chlorobenzoate is COCOC(=O)c1c(N)cccc1Cl.
What is the InChIKey of methoxymethyl 2-amino-6-chlorobenzoate?
The InChIKey is LIGHHXDLHXDCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3/c1-13-5-14-9(12)8-6(10)3-2-4-7(8)11/h2-4H,5,11H2,1H3.
What are the key properties of methoxymethyl 2-amino-6-chlorobenzoate?
methoxymethyl 2-amino-6-chlorobenzoate has a molecular weight of 215.64 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethyl 2-amino-6-chlorobenzoate is sourced from PubChem (CID 65364299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).