2-(dimethylamino)ethyl 2-(2-hydroxyacetyl)benzoate

C13H17NO4 — CID 2329503

IUPAC2-(dimethylamino)ethyl 2-(2-hydroxyacetyl)benzoate
SMILESCN(C)CCOC(=O)c1ccccc1C(=O)CO
InChIInChI=1S/C13H17NO4/c1-14(2)7-8-18-13(17)11-6-4-3-5-10(11)12(16)9-15/h3-6,15H,7-9H2,1-2H3
InChIKeyCOHXGZYDNNRSHE-UHFFFAOYSA-N
MW251.28 g/mol
LogP0.58
Rot. Bonds6

About 2-(dimethylamino)ethyl 2-(2-hydroxyacetyl)benzoate

2-(dimethylamino)ethyl 2-(2-hydroxyacetyl)benzoate (PubChem CID 2329503) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-(2-hydroxyacetyl)benzoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-(2-hydroxyacetyl)benzoate
PubChem CID2329503
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2-(dimethylamino)ethyl 2-(2-hydroxyacetyl)benzoate
SMILESCN(C)CCOC(=O)c1ccccc1C(=O)CO
InChIInChI=1S/C13H17NO4/c1-14(2)7-8-18-13(17)11-6-4-3-5-10(11)12(16)9-15/h3-6,15H,7-9H2,1-2H3
InChIKeyCOHXGZYDNNRSHE-UHFFFAOYSA-N
XLogP0.58
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 2275476
2-[methyl(propan-2-yl)amino]ethyl 2-iodobenzoate;hydrochloride
CID 2893252
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CID 20795956
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CID 139956457

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2-(2-hydroxyacetyl)benzoate?
The IUPAC name of 2-(dimethylamino)ethyl 2-(2-hydroxyacetyl)benzoate (CID 2329503) is 2-(dimethylamino)ethyl 2-(2-hydroxyacetyl)benzoate.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-(2-hydroxyacetyl)benzoate?
The canonical SMILES for 2-(dimethylamino)ethyl 2-(2-hydroxyacetyl)benzoate is CN(C)CCOC(=O)c1ccccc1C(=O)CO.
What is the InChIKey of 2-(dimethylamino)ethyl 2-(2-hydroxyacetyl)benzoate?
The InChIKey is COHXGZYDNNRSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-14(2)7-8-18-13(17)11-6-4-3-5-10(11)12(16)9-15/h3-6,15H,7-9H2,1-2H3.
What are the key properties of 2-(dimethylamino)ethyl 2-(2-hydroxyacetyl)benzoate?
2-(dimethylamino)ethyl 2-(2-hydroxyacetyl)benzoate has a molecular weight of 251.28 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2-(2-hydroxyacetyl)benzoate is sourced from PubChem (CID 2329503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).