2-(dimethylamino)ethyl 2-hydroxy-3-propanoylbenzoate

C14H19NO4 — CID 13478528

IUPAC2-(dimethylamino)ethyl 2-hydroxy-3-propanoylbenzoate
SMILESCCC(=O)c1cccc(C(=O)OCCN(C)C)c1O
InChIInChI=1S/C14H19NO4/c1-4-12(16)10-6-5-7-11(13(10)17)14(18)19-9-8-15(2)3/h5-7,17H,4,8-9H2,1-3H3
InChIKeyDNYDQDYVSKERPZ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.70
Rot. Bonds6

About 2-(dimethylamino)ethyl 2-hydroxy-3-propanoylbenzoate

2-(dimethylamino)ethyl 2-hydroxy-3-propanoylbenzoate (PubChem CID 13478528) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-hydroxy-3-propanoylbenzoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-hydroxy-3-propanoylbenzoate
PubChem CID13478528
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-(dimethylamino)ethyl 2-hydroxy-3-propanoylbenzoate
SMILESCCC(=O)c1cccc(C(=O)OCCN(C)C)c1O
InChIInChI=1S/C14H19NO4/c1-4-12(16)10-6-5-7-11(13(10)17)14(18)19-9-8-15(2)3/h5-7,17H,4,8-9H2,1-3H3
InChIKeyDNYDQDYVSKERPZ-UHFFFAOYSA-N
XLogP1.70
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(dimethylamino)ethyl 2-(2-hydroxyacetyl)benzoate
CID 2329503
2-(dimethylamino)ethyl 2-fluorobenzoate
CID 3546835
2-(dimethylamino)ethyl 2,3-bis(bromomethyl)benzoate
CID 54290065
2-(dimethylamino)ethyl 2-(trifluoromethyl)benzoate
CID 91693936
2-(dimethylamino)ethyl 9-oxofluorene-4-carboxylate
CID 7730694
2-(dimethylamino)ethyl 3-ethylbenzoate
CID 70999207
2-(dimethylamino)ethyl 2-(2-phenylethyl)benzoate
CID 26543
2-(dimethylamino)ethyl benzoate;hydroiodide
CID 2752377
2-(dimethylamino)ethyl 3-bromobenzoate;hydrochloride
CID 2912299
1-[2-[2-(dimethylamino)ethoxy]-6-hydroxyphenyl]propan-1-one
CID 71450597
hexadecyl 2,3-dihydroxybenzoate
CID 14177662
pentadecyl 2,3-dihydroxybenzoate
CID 154094059

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2-hydroxy-3-propanoylbenzoate?
The IUPAC name of 2-(dimethylamino)ethyl 2-hydroxy-3-propanoylbenzoate (CID 13478528) is 2-(dimethylamino)ethyl 2-hydroxy-3-propanoylbenzoate.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-hydroxy-3-propanoylbenzoate?
The canonical SMILES for 2-(dimethylamino)ethyl 2-hydroxy-3-propanoylbenzoate is CCC(=O)c1cccc(C(=O)OCCN(C)C)c1O.
What is the InChIKey of 2-(dimethylamino)ethyl 2-hydroxy-3-propanoylbenzoate?
The InChIKey is DNYDQDYVSKERPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-12(16)10-6-5-7-11(13(10)17)14(18)19-9-8-15(2)3/h5-7,17H,4,8-9H2,1-3H3.
What are the key properties of 2-(dimethylamino)ethyl 2-hydroxy-3-propanoylbenzoate?
2-(dimethylamino)ethyl 2-hydroxy-3-propanoylbenzoate has a molecular weight of 265.31 g/mol, XLogP of 1.70, 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-hydroxy-3-propanoylbenzoate is sourced from PubChem (CID 13478528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).