2-(dimethylamino)ethyl 2-hydroxy-2-phenylacetate

C12H17NO3 — CID 23617342

IUPAC2-(dimethylamino)ethyl 2-hydroxy-2-phenylacetate
SMILESCN(C)CCOC(=O)C(O)c1ccccc1
InChIInChI=1S/C12H17NO3/c1-13(2)8-9-16-12(15)11(14)10-6-4-3-5-7-10/h3-7,11,14H,8-9H2,1-2H3
InChIKeyUQXGVJZBJNUWFF-UHFFFAOYSA-N
MW223.27 g/mol
LogP0.82
Rot. Bonds5

About 2-(dimethylamino)ethyl 2-hydroxy-2-phenylacetate

2-(dimethylamino)ethyl 2-hydroxy-2-phenylacetate (PubChem CID 23617342) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-hydroxy-2-phenylacetate
PubChem CID23617342
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-(dimethylamino)ethyl 2-hydroxy-2-phenylacetate
SMILESCN(C)CCOC(=O)C(O)c1ccccc1
InChIInChI=1S/C12H17NO3/c1-13(2)8-9-16-12(15)11(14)10-6-4-3-5-7-10/h3-7,11,14H,8-9H2,1-2H3
InChIKeyUQXGVJZBJNUWFF-UHFFFAOYSA-N
XLogP0.82
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)ethyl 2-chloro-2-phenylacetate
CID 101188921
10-(2-hydroxy-2-phenylacetyl)oxydecyl 2-hydroxy-2-phenylacetate
CID 123268996
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
pentyl (2R)-2-hydroxy-2-phenylacetate
CID 67071786
2-(dimethylamino)ethyl 2-benzyl-3-phenylpropanoate;hydrochloride
CID 24834682
ethyl 2-hydroxy-2-phenylacetate;methane;dihydrochloride
CID 174768847
sodium;ethyl 2-hydroxy-2-phenylacetate;hydride
CID 175364908
2-(dimethylamino)ethyl (2R)-2-(1-hydroxycyclopentyl)-2-phenylacetate;hydrochloride
CID 46224605
2-(dimethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate chloride
CID 45114073
chloromethyl 2-hydroxy-2-phenylacetate
CID 123324758
2,2-dimethylpropyl (2R)-2-hydroxy-2-phenylacetate
CID 175069063
2-(dimethylamino)ethyl benzoate;hydroiodide
CID 2752377

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2-hydroxy-2-phenylacetate?
The IUPAC name of 2-(dimethylamino)ethyl 2-hydroxy-2-phenylacetate (CID 23617342) is 2-(dimethylamino)ethyl 2-hydroxy-2-phenylacetate.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-hydroxy-2-phenylacetate?
The canonical SMILES for 2-(dimethylamino)ethyl 2-hydroxy-2-phenylacetate is CN(C)CCOC(=O)C(O)c1ccccc1.
What is the InChIKey of 2-(dimethylamino)ethyl 2-hydroxy-2-phenylacetate?
The InChIKey is UQXGVJZBJNUWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-13(2)8-9-16-12(15)11(14)10-6-4-3-5-7-10/h3-7,11,14H,8-9H2,1-2H3.
What are the key properties of 2-(dimethylamino)ethyl 2-hydroxy-2-phenylacetate?
2-(dimethylamino)ethyl 2-hydroxy-2-phenylacetate has a molecular weight of 223.27 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2-hydroxy-2-phenylacetate is sourced from PubChem (CID 23617342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).