ethyl 4-(6-amino-3-pyridinyl)-3,4-dihydroxybutanoate

C11H16N2O4 — CID 171896832

IUPACethyl 4-(6-amino-3-pyridinyl)-3,4-dihydroxybutanoate
SMILESCCOC(=O)CC(O)C(O)c1ccc(N)nc1
InChIInChI=1S/C11H16N2O4/c1-2-17-10(15)5-8(14)11(16)7-3-4-9(12)13-6-7/h3-4,6,8,11,14,16H,2,5H2,1H3,(H2,12,13)
InChIKeyVOEQQTMIPZMLGB-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.01
Rot. Bonds5

About ethyl 4-(6-amino-3-pyridinyl)-3,4-dihydroxybutanoate

ethyl 4-(6-amino-3-pyridinyl)-3,4-dihydroxybutanoate (PubChem CID 171896832) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is ethyl 4-(6-amino-3-pyridinyl)-3,4-dihydroxybutanoate.

Molecular Properties

Compound Nameethyl 4-(6-amino-3-pyridinyl)-3,4-dihydroxybutanoate
PubChem CID171896832
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Nameethyl 4-(6-amino-3-pyridinyl)-3,4-dihydroxybutanoate
SMILESCCOC(=O)CC(O)C(O)c1ccc(N)nc1
InChIInChI=1S/C11H16N2O4/c1-2-17-10(15)5-8(14)11(16)7-3-4-9(12)13-6-7/h3-4,6,8,11,14,16H,2,5H2,1H3,(H2,12,13)
InChIKeyVOEQQTMIPZMLGB-UHFFFAOYSA-N
XLogP0.01
TPSA105.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze ethyl 4-(6-amino-3-pyridinyl)-3,4-dihydroxybutanoate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 4-(6-hydrazinyl-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171897191
ethyl 4-(2-fluoropyrimidin-5-yl)-3,4-dihydroxybutanoate
CID 171896822
ethyl 3,4-dihydroxy-4-(4-hydroxyphenyl)butanoate
CID 171896820
ethyl 4-(5-amino-6-chloro-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171897024
methyl 4-(6-ethoxy-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171895710
ethyl 3,4-dihydroxy-4-(5-hydroxypyrimidin-2-yl)butanoate
CID 171896844
ethyl 3,4-dihydroxy-4-quinolin-6-ylbutanoate
CID 171897595
1-(6-amino-3-pyridinyl)-3-sulfanylpropane-1,2-diol
CID 170819326
N-[4-(6-amino-3-pyridinyl)-3,4-dihydroxybutyl]acetamide
CID 171882499
4-(6-ethoxy-3-pyridinyl)-3,4-dihydroxybutanamide
CID 171899294
ethyl 3,4-dihydroxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)butanoate
CID 171897537
methyl 4-(2-aminopyrimidin-5-yl)-3,4-dihydroxybutanoate
CID 171895107

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(6-amino-3-pyridinyl)-3,4-dihydroxybutanoate?
The IUPAC name of ethyl 4-(6-amino-3-pyridinyl)-3,4-dihydroxybutanoate (CID 171896832) is ethyl 4-(6-amino-3-pyridinyl)-3,4-dihydroxybutanoate.
What is the SMILES notation for ethyl 4-(6-amino-3-pyridinyl)-3,4-dihydroxybutanoate?
The canonical SMILES for ethyl 4-(6-amino-3-pyridinyl)-3,4-dihydroxybutanoate is CCOC(=O)CC(O)C(O)c1ccc(N)nc1.
What is the InChIKey of ethyl 4-(6-amino-3-pyridinyl)-3,4-dihydroxybutanoate?
The InChIKey is VOEQQTMIPZMLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-2-17-10(15)5-8(14)11(16)7-3-4-9(12)13-6-7/h3-4,6,8,11,14,16H,2,5H2,1H3,(H2,12,13).
What are the key properties of ethyl 4-(6-amino-3-pyridinyl)-3,4-dihydroxybutanoate?
ethyl 4-(6-amino-3-pyridinyl)-3,4-dihydroxybutanoate has a molecular weight of 240.26 g/mol, XLogP of 0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(6-amino-3-pyridinyl)-3,4-dihydroxybutanoate is sourced from PubChem (CID 171896832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).