ethyl 3-[[4-(2-aminoethoxy)-2-hydroxybenzoyl]amino]-3-pyridin-3-ylpropanoate

C19H23N3O5 — CID 59103869

IUPACethyl 3-[[4-(2-aminoethoxy)-2-hydroxybenzoyl]amino]-3-pyridin-3-ylpropanoate
SMILESCCOC(=O)CC(NC(=O)c1ccc(OCCN)cc1O)c1cccnc1
InChIInChI=1S/C19H23N3O5/c1-2-26-18(24)11-16(13-4-3-8-21-12-13)22-19(25)15-6-5-14(10-17(15)23)27-9-7-20/h3-6,8,10,12,16,23H,2,7,9,11,20H2,1H3,(H,22,25)
InChIKeyUOGUKZFWUBRDKW-UHFFFAOYSA-N
MW373.41 g/mol
LogP1.55
Rot. Bonds9

About ethyl 3-[[4-(2-aminoethoxy)-2-hydroxybenzoyl]amino]-3-pyridin-3-ylpropanoate

ethyl 3-[[4-(2-aminoethoxy)-2-hydroxybenzoyl]amino]-3-pyridin-3-ylpropanoate (PubChem CID 59103869) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is ethyl 3-[[4-(2-aminoethoxy)-2-hydroxybenzoyl]amino]-3-pyridin-3-ylpropanoate.

Molecular Properties

Compound Nameethyl 3-[[4-(2-aminoethoxy)-2-hydroxybenzoyl]amino]-3-pyridin-3-ylpropanoate
PubChem CID59103869
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Nameethyl 3-[[4-(2-aminoethoxy)-2-hydroxybenzoyl]amino]-3-pyridin-3-ylpropanoate
SMILESCCOC(=O)CC(NC(=O)c1ccc(OCCN)cc1O)c1cccnc1
InChIInChI=1S/C19H23N3O5/c1-2-26-18(24)11-16(13-4-3-8-21-12-13)22-19(25)15-6-5-14(10-17(15)23)27-9-7-20/h3-6,8,10,12,16,23H,2,7,9,11,20H2,1H3,(H,22,25)
InChIKeyUOGUKZFWUBRDKW-UHFFFAOYSA-N
XLogP1.55
TPSA123.77 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze ethyl 3-[[4-(2-aminoethoxy)-2-hydroxybenzoyl]amino]-3-pyridin-3-ylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[4-(2-aminoethoxy)-2-hydroxybenzoyl]amino]-3-pyridin-3-ylpropanoate?
The IUPAC name of ethyl 3-[[4-(2-aminoethoxy)-2-hydroxybenzoyl]amino]-3-pyridin-3-ylpropanoate (CID 59103869) is ethyl 3-[[4-(2-aminoethoxy)-2-hydroxybenzoyl]amino]-3-pyridin-3-ylpropanoate.
What is the SMILES notation for ethyl 3-[[4-(2-aminoethoxy)-2-hydroxybenzoyl]amino]-3-pyridin-3-ylpropanoate?
The canonical SMILES for ethyl 3-[[4-(2-aminoethoxy)-2-hydroxybenzoyl]amino]-3-pyridin-3-ylpropanoate is CCOC(=O)CC(NC(=O)c1ccc(OCCN)cc1O)c1cccnc1.
What is the InChIKey of ethyl 3-[[4-(2-aminoethoxy)-2-hydroxybenzoyl]amino]-3-pyridin-3-ylpropanoate?
The InChIKey is UOGUKZFWUBRDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-2-26-18(24)11-16(13-4-3-8-21-12-13)22-19(25)15-6-5-14(10-17(15)23)27-9-7-20/h3-6,8,10,12,16,23H,2,7,9,11,20H2,1H3,(H,22,25).
What are the key properties of ethyl 3-[[4-(2-aminoethoxy)-2-hydroxybenzoyl]amino]-3-pyridin-3-ylpropanoate?
ethyl 3-[[4-(2-aminoethoxy)-2-hydroxybenzoyl]amino]-3-pyridin-3-ylpropanoate has a molecular weight of 373.41 g/mol, XLogP of 1.55, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[4-(2-aminoethoxy)-2-hydroxybenzoyl]amino]-3-pyridin-3-ylpropanoate is sourced from PubChem (CID 59103869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).