methyl 4-(2-aminoethoxy)-3-chloro-5-methoxybenzoate

C11H14ClNO4 — CID 117053288

IUPACmethyl 4-(2-aminoethoxy)-3-chloro-5-methoxybenzoate
SMILESCOC(=O)c1cc(Cl)c(OCCN)c(OC)c1
InChIInChI=1S/C11H14ClNO4/c1-15-9-6-7(11(14)16-2)5-8(12)10(9)17-4-3-13/h5-6H,3-4,13H2,1-2H3
InChIKeyVTXWAKPZXXRWSP-UHFFFAOYSA-N
MW259.69 g/mol
LogP1.47
Rot. Bonds5

About methyl 4-(2-aminoethoxy)-3-chloro-5-methoxybenzoate

methyl 4-(2-aminoethoxy)-3-chloro-5-methoxybenzoate (PubChem CID 117053288) has the molecular formula C11H14ClNO4 and a molecular weight of 259.69 g/mol. Its IUPAC name is methyl 4-(2-aminoethoxy)-3-chloro-5-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-(2-aminoethoxy)-3-chloro-5-methoxybenzoate
PubChem CID117053288
Molecular FormulaC11H14ClNO4
Molecular Weight259.69 g/mol
Exact Mass259.06
IUPAC Namemethyl 4-(2-aminoethoxy)-3-chloro-5-methoxybenzoate
SMILESCOC(=O)c1cc(Cl)c(OCCN)c(OC)c1
InChIInChI=1S/C11H14ClNO4/c1-15-9-6-7(11(14)16-2)5-8(12)10(9)17-4-3-13/h5-6H,3-4,13H2,1-2H3
InChIKeyVTXWAKPZXXRWSP-UHFFFAOYSA-N
XLogP1.47
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(2-hydroxyethoxy)-3,5-dimethoxybenzoate
CID 122501384
methyl 3-chloro-4-(2-cyanopropan-2-yloxy)-5-methoxybenzoate
CID 117053298
3-chloro-4-hexoxy-5-methoxybenzoyl chloride
CID 10063669
[(2S)-1-amino-1-oxopropan-2-yl] 4-butoxy-3-chloro-5-methoxybenzoate
CID 7952399
[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 3-chloro-5-methoxy-4-propoxybenzoate
CID 8578851
3-chloro-4,5-dimethoxy-N-(2-methoxyethoxy)benzamide
CID 79676765
[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate
CID 55311387
methyl 3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoate
CID 91682617
methyl 3-chloro-5-methoxy-4-(pyrrolidin-2-ylmethoxy)benzoate
CID 117053306
3-chloro-5-methoxy-4-propoxy-N-propylbenzamide
CID 7333465
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate
CID 55401581
N-[(2S)-1-aminopropan-2-yl]-3-chloro-5-methoxy-4-(3-methylbutoxy)benzamide;hydrochloride
CID 120508088

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-aminoethoxy)-3-chloro-5-methoxybenzoate?
The IUPAC name of methyl 4-(2-aminoethoxy)-3-chloro-5-methoxybenzoate (CID 117053288) is methyl 4-(2-aminoethoxy)-3-chloro-5-methoxybenzoate.
What is the SMILES notation for methyl 4-(2-aminoethoxy)-3-chloro-5-methoxybenzoate?
The canonical SMILES for methyl 4-(2-aminoethoxy)-3-chloro-5-methoxybenzoate is COC(=O)c1cc(Cl)c(OCCN)c(OC)c1.
What is the InChIKey of methyl 4-(2-aminoethoxy)-3-chloro-5-methoxybenzoate?
The InChIKey is VTXWAKPZXXRWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO4/c1-15-9-6-7(11(14)16-2)5-8(12)10(9)17-4-3-13/h5-6H,3-4,13H2,1-2H3.
What are the key properties of methyl 4-(2-aminoethoxy)-3-chloro-5-methoxybenzoate?
methyl 4-(2-aminoethoxy)-3-chloro-5-methoxybenzoate has a molecular weight of 259.69 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-aminoethoxy)-3-chloro-5-methoxybenzoate is sourced from PubChem (CID 117053288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).