ethyl 2-(2-aminoacetyl)benzoate

C11H13NO3 — CID 18694028

IUPACethyl 2-(2-aminoacetyl)benzoate
SMILESCCOC(=O)c1ccccc1C(=O)CN
InChIInChI=1S/C11H13NO3/c1-2-15-11(14)9-6-4-3-5-8(9)10(13)7-12/h3-6H,2,7,12H2,1H3
InChIKeyXGKHYIGVSRBNDT-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.00
Rot. Bonds4

About ethyl 2-(2-aminoacetyl)benzoate

ethyl 2-(2-aminoacetyl)benzoate (PubChem CID 18694028) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is ethyl 2-(2-aminoacetyl)benzoate.

Molecular Properties

Compound Nameethyl 2-(2-aminoacetyl)benzoate
PubChem CID18694028
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Nameethyl 2-(2-aminoacetyl)benzoate
SMILESCCOC(=O)c1ccccc1C(=O)CN
InChIInChI=1S/C11H13NO3/c1-2-15-11(14)9-6-4-3-5-8(9)10(13)7-12/h3-6H,2,7,12H2,1H3
InChIKeyXGKHYIGVSRBNDT-UHFFFAOYSA-N
XLogP1.00
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 89246806
CID 89246806
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-aminoacetyl)benzoate?
The IUPAC name of ethyl 2-(2-aminoacetyl)benzoate (CID 18694028) is ethyl 2-(2-aminoacetyl)benzoate.
What is the SMILES notation for ethyl 2-(2-aminoacetyl)benzoate?
The canonical SMILES for ethyl 2-(2-aminoacetyl)benzoate is CCOC(=O)c1ccccc1C(=O)CN.
What is the InChIKey of ethyl 2-(2-aminoacetyl)benzoate?
The InChIKey is XGKHYIGVSRBNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-2-15-11(14)9-6-4-3-5-8(9)10(13)7-12/h3-6H,2,7,12H2,1H3.
What are the key properties of ethyl 2-(2-aminoacetyl)benzoate?
ethyl 2-(2-aminoacetyl)benzoate has a molecular weight of 207.23 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-aminoacetyl)benzoate is sourced from PubChem (CID 18694028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).