3-amino-1-(6-ethoxy-3-pyridinyl)propane-1,2-diol

C10H16N2O3 — CID 170828157

IUPAC3-amino-1-(6-ethoxy-3-pyridinyl)propane-1,2-diol
SMILESCCOc1ccc(C(O)C(O)CN)cn1
InChIInChI=1S/C10H16N2O3/c1-2-15-9-4-3-7(6-12-9)10(14)8(13)5-11/h3-4,6,8,10,13-14H,2,5,11H2,1H3
InChIKeyCJEXXABXKYIRLW-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.17
Rot. Bonds5

About 3-amino-1-(6-ethoxy-3-pyridinyl)propane-1,2-diol

3-amino-1-(6-ethoxy-3-pyridinyl)propane-1,2-diol (PubChem CID 170828157) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-amino-1-(6-ethoxy-3-pyridinyl)propane-1,2-diol.

Molecular Properties

Compound Name3-amino-1-(6-ethoxy-3-pyridinyl)propane-1,2-diol
PubChem CID170828157
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name3-amino-1-(6-ethoxy-3-pyridinyl)propane-1,2-diol
SMILESCCOc1ccc(C(O)C(O)CN)cn1
InChIInChI=1S/C10H16N2O3/c1-2-15-9-4-3-7(6-12-9)10(14)8(13)5-11/h3-4,6,8,10,13-14H,2,5,11H2,1H3
InChIKeyCJEXXABXKYIRLW-UHFFFAOYSA-N
XLogP-0.17
TPSA88.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-amino-1-(6-ethoxy-3-pyridinyl)propane-1,2-diol 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

1-(6-ethoxy-3-pyridinyl)butane-1,2,4-triol
CID 171872420
4-(6-ethoxy-3-pyridinyl)-3,4-dihydroxybutanamide
CID 171899294
(1S)-1-(6-ethoxy-3-pyridinyl)ethane-1,2-diamine
CID 55275153
methyl 4-(6-ethoxy-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171895710
3-amino-1-(6-chloro-3-pyridinyl)propane-1,2-diol
CID 170827531
(3S)-3-amino-3-(6-ethoxy-3-pyridinyl)propan-1-ol
CID 55269772
1-(6-ethoxy-3-pyridinyl)prop-2-en-1-amine
CID 55294382
(3R)-3-(6-ethoxy-3-pyridinyl)butan-1-ol
CID 145499112
4-bromo-1-(6-methoxy-3-pyridinyl)butane-1,2-diol
CID 171891786
2-amino-1-(6-methoxy-3-pyridinyl)butan-1-ol
CID 114937489
ethyl (2S,3R)-2-amino-3-hydroxy-3-(6-methoxy-3-pyridinyl)propanoate
CID 124593930
3-amino-1-(2-chloropyrimidin-5-yl)propane-1,2-diol
CID 170827505

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(6-ethoxy-3-pyridinyl)propane-1,2-diol?
The IUPAC name of 3-amino-1-(6-ethoxy-3-pyridinyl)propane-1,2-diol (CID 170828157) is 3-amino-1-(6-ethoxy-3-pyridinyl)propane-1,2-diol.
What is the SMILES notation for 3-amino-1-(6-ethoxy-3-pyridinyl)propane-1,2-diol?
The canonical SMILES for 3-amino-1-(6-ethoxy-3-pyridinyl)propane-1,2-diol is CCOc1ccc(C(O)C(O)CN)cn1.
What is the InChIKey of 3-amino-1-(6-ethoxy-3-pyridinyl)propane-1,2-diol?
The InChIKey is CJEXXABXKYIRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-2-15-9-4-3-7(6-12-9)10(14)8(13)5-11/h3-4,6,8,10,13-14H,2,5,11H2,1H3.
What are the key properties of 3-amino-1-(6-ethoxy-3-pyridinyl)propane-1,2-diol?
3-amino-1-(6-ethoxy-3-pyridinyl)propane-1,2-diol has a molecular weight of 212.25 g/mol, XLogP of -0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(6-ethoxy-3-pyridinyl)propane-1,2-diol is sourced from PubChem (CID 170828157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).