(2-amino-2-oxoethyl) 4-methoxybenzoate

C10H11NO4 — CID 2352786

IUPAC(2-amino-2-oxoethyl) 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(N)=O)cc1
InChIInChI=1S/C10H11NO4/c1-14-8-4-2-7(3-5-8)10(13)15-6-9(11)12/h2-5H,6H2,1H3,(H2,11,12)
InChIKeyXNLTYCLCSMLBBX-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.34
Rot. Bonds4

About (2-amino-2-oxoethyl) 4-methoxybenzoate

(2-amino-2-oxoethyl) 4-methoxybenzoate (PubChem CID 2352786) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 4-methoxybenzoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 4-methoxybenzoate
PubChem CID2352786
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name(2-amino-2-oxoethyl) 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(N)=O)cc1
InChIInChI=1S/C10H11NO4/c1-14-8-4-2-7(3-5-8)10(13)15-6-9(11)12/h2-5H,6H2,1H3,(H2,11,12)
InChIKeyXNLTYCLCSMLBBX-UHFFFAOYSA-N
XLogP0.34
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl anisate
CID 8499
Ethyl anisate
CID 60979
Parethoxycaine
CID 7183
Ethyl 4-ethoxybenzoate
CID 90232
Sodium anisate
CID 23663627
p-Anisic anhydride
CID 69928
Benzoic acid, 4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
CID 8694
Benzoic acid, 4-methoxy-, carboxymethyl ester
CID 193458
1,1'-(1,6-Hexanediyl) bis(4-methoxybenzoate)
CID 4926787
Methyl 4-(benzyloxy)benzoate
CID 299810
4-Methoxybenzoate
CID 3783514
Butoxycaine
CID 16882

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 4-methoxybenzoate?
The IUPAC name of (2-amino-2-oxoethyl) 4-methoxybenzoate (CID 2352786) is (2-amino-2-oxoethyl) 4-methoxybenzoate.
What is the SMILES notation for (2-amino-2-oxoethyl) 4-methoxybenzoate?
The canonical SMILES for (2-amino-2-oxoethyl) 4-methoxybenzoate is COc1ccc(C(=O)OCC(N)=O)cc1.
What is the InChIKey of (2-amino-2-oxoethyl) 4-methoxybenzoate?
The InChIKey is XNLTYCLCSMLBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-14-8-4-2-7(3-5-8)10(13)15-6-9(11)12/h2-5H,6H2,1H3,(H2,11,12).
What are the key properties of (2-amino-2-oxoethyl) 4-methoxybenzoate?
(2-amino-2-oxoethyl) 4-methoxybenzoate has a molecular weight of 209.20 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 4-methoxybenzoate is sourced from PubChem (CID 2352786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).