(2-methoxy-2-oxoethyl) 5-amino-2-methoxybenzoate

C11H13NO5 — CID 61323469

IUPAC(2-methoxy-2-oxoethyl) 5-amino-2-methoxybenzoate
SMILESCOC(=O)COC(=O)c1cc(N)ccc1OC
InChIInChI=1S/C11H13NO5/c1-15-9-4-3-7(12)5-8(9)11(14)17-6-10(13)16-2/h3-5H,6,12H2,1-2H3
InChIKeyNXDJYWVYXYUUHK-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.61
Rot. Bonds4

About (2-methoxy-2-oxoethyl) 5-amino-2-methoxybenzoate

(2-methoxy-2-oxoethyl) 5-amino-2-methoxybenzoate (PubChem CID 61323469) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is (2-methoxy-2-oxoethyl) 5-amino-2-methoxybenzoate.

Molecular Properties

Compound Name(2-methoxy-2-oxoethyl) 5-amino-2-methoxybenzoate
PubChem CID61323469
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name(2-methoxy-2-oxoethyl) 5-amino-2-methoxybenzoate
SMILESCOC(=O)COC(=O)c1cc(N)ccc1OC
InChIInChI=1S/C11H13NO5/c1-15-9-4-3-7(12)5-8(9)11(14)17-6-10(13)16-2/h3-5H,6,12H2,1-2H3
InChIKeyNXDJYWVYXYUUHK-UHFFFAOYSA-N
XLogP0.61
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.61
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

ethyl 5-amino-2-methoxybenzoate
CID 22180184
(2-methoxy-2-oxoethyl) 5-amino-2-fluorobenzoate
CID 61317152
[2-oxo-2-(propylamino)ethyl] 5-amino-2-methoxybenzoate
CID 61321954
[2-(cyclopropylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate
CID 61321191
[2-(cyclopropylmethylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate
CID 61321763
[2-oxo-2-(pentan-2-ylamino)ethyl] 5-amino-2-methoxybenzoate
CID 61489769
[2-(cyclopentylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate
CID 61321950
[3-(methylamino)-3-oxopropyl] 5-amino-2-methoxybenzoate
CID 55060431
[2-(2-cyanoethylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate
CID 61321955
nonyl 5-amino-2-methoxybenzoate
CID 63450276
2-[(2-methylpropan-2-yl)oxy]ethyl 5-amino-2-methoxybenzoate
CID 112588565
(2-methoxy-2-oxoethyl) 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate
CID 16568706

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-oxoethyl) 5-amino-2-methoxybenzoate?
The IUPAC name of (2-methoxy-2-oxoethyl) 5-amino-2-methoxybenzoate (CID 61323469) is (2-methoxy-2-oxoethyl) 5-amino-2-methoxybenzoate.
What is the SMILES notation for (2-methoxy-2-oxoethyl) 5-amino-2-methoxybenzoate?
The canonical SMILES for (2-methoxy-2-oxoethyl) 5-amino-2-methoxybenzoate is COC(=O)COC(=O)c1cc(N)ccc1OC.
What is the InChIKey of (2-methoxy-2-oxoethyl) 5-amino-2-methoxybenzoate?
The InChIKey is NXDJYWVYXYUUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c1-15-9-4-3-7(12)5-8(9)11(14)17-6-10(13)16-2/h3-5H,6,12H2,1-2H3.
What are the key properties of (2-methoxy-2-oxoethyl) 5-amino-2-methoxybenzoate?
(2-methoxy-2-oxoethyl) 5-amino-2-methoxybenzoate has a molecular weight of 239.23 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-oxoethyl) 5-amino-2-methoxybenzoate is sourced from PubChem (CID 61323469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).