ethyl 3-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxypropanoate

C15H23NO5 — CID 171867031

IUPACethyl 3-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxypropanoate
SMILESCCOC(=O)C(O)C(O)c1ccc(OCCN(C)C)cc1
InChIInChI=1S/C15H23NO5/c1-4-20-15(19)14(18)13(17)11-5-7-12(8-6-11)21-10-9-16(2)3/h5-8,13-14,17-18H,4,9-10H2,1-3H3
InChIKeySNSPNNJPUILWSL-UHFFFAOYSA-N
MW297.35 g/mol
LogP0.58
Rot. Bonds8

About ethyl 3-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxypropanoate

ethyl 3-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxypropanoate (PubChem CID 171867031) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is ethyl 3-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxypropanoate.

Molecular Properties

Compound Nameethyl 3-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxypropanoate
PubChem CID171867031
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Nameethyl 3-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxypropanoate
SMILESCCOC(=O)C(O)C(O)c1ccc(OCCN(C)C)cc1
InChIInChI=1S/C15H23NO5/c1-4-20-15(19)14(18)13(17)11-5-7-12(8-6-11)21-10-9-16(2)3/h5-8,13-14,17-18H,4,9-10H2,1-3H3
InChIKeySNSPNNJPUILWSL-UHFFFAOYSA-N
XLogP0.58
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-(4-aminophenyl)-2,3-dihydroxypropanoate
CID 171865608
ethyl 2,3-dihydroxy-3-(4-hydroxyphenyl)propanoate
CID 171865553
3-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxypropanenitrile
CID 171871163
ethyl (2R,3R)-3-(4-chlorophenyl)-2,3-dihydroxypropanoate
CID 102298817
4-[4-[2-(dimethylamino)ethoxy]phenyl]-3,4-dihydroxybutanenitrile
CID 171901898
1-(4-butoxyphenyl)-3-(dimethylamino)propan-1-ol
CID 82073798
ethyl (2S,3R)-2,3-dihydroxy-3-(4-nitrophenyl)propanoate
CID 11149499
ethyl 2,3-dihydroxy-3-[4-(methylcarbamoyl)phenyl]propanoate
CID 171866592
ethyl 2,3-dihydroxy-3-[4-(2,2,2-trifluoroacetyl)phenyl]propanoate
CID 171866964
ethyl 2-[4-(3-bromopropoxy)phenyl]-2-hydroxyacetate
CID 22459007
ethyl 2-amino-5-[2-(dimethylamino)ethoxy]benzoate
CID 61306548
ethyl 2,3-dihydroxy-3-(4-hydroxy-3-methylphenyl)propanoate
CID 171865724

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxypropanoate?
The IUPAC name of ethyl 3-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxypropanoate (CID 171867031) is ethyl 3-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxypropanoate.
What is the SMILES notation for ethyl 3-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxypropanoate?
The canonical SMILES for ethyl 3-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxypropanoate is CCOC(=O)C(O)C(O)c1ccc(OCCN(C)C)cc1.
What is the InChIKey of ethyl 3-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxypropanoate?
The InChIKey is SNSPNNJPUILWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5/c1-4-20-15(19)14(18)13(17)11-5-7-12(8-6-11)21-10-9-16(2)3/h5-8,13-14,17-18H,4,9-10H2,1-3H3.
What are the key properties of ethyl 3-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxypropanoate?
ethyl 3-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxypropanoate has a molecular weight of 297.35 g/mol, XLogP of 0.58, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-dihydroxypropanoate is sourced from PubChem (CID 171867031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).