ethyl 6-[(1S)-1-amino-2-hydroxyethyl]pyridine-2-carboxylate

C10H14N2O3 — CID 131869074

IUPACethyl 6-[(1S)-1-amino-2-hydroxyethyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc([C@H](N)CO)n1
InChIInChI=1S/C10H14N2O3/c1-2-15-10(14)9-5-3-4-8(12-9)7(11)6-13/h3-5,7,13H,2,6,11H2,1H3/t7-/m1/s1
InChIKeyQDQVLRZKJWJEKY-SSDOTTSWSA-N
MW210.23 g/mol
LogP0.25
Rot. Bonds4

About ethyl 6-[(1S)-1-amino-2-hydroxyethyl]pyridine-2-carboxylate

ethyl 6-[(1S)-1-amino-2-hydroxyethyl]pyridine-2-carboxylate (PubChem CID 131869074) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is ethyl 6-[(1S)-1-amino-2-hydroxyethyl]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(1S)-1-amino-2-hydroxyethyl]pyridine-2-carboxylate
PubChem CID131869074
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Nameethyl 6-[(1S)-1-amino-2-hydroxyethyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc([C@H](N)CO)n1
InChIInChI=1S/C10H14N2O3/c1-2-15-10(14)9-5-3-4-8(12-9)7(11)6-13/h3-5,7,13H,2,6,11H2,1H3/t7-/m1/s1
InChIKeyQDQVLRZKJWJEKY-SSDOTTSWSA-N
XLogP0.25
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 6-[(1S)-1-amino-2-hydroxyethyl]pyridine-2-carboxylate 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 6-[hydroxy-(2-hydroxyphenyl)methyl]pyridine-2-carboxylate
CID 135012429
ethyl 6-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyridine-2-carboxylate
CID 171864733
4-(6-ethoxycarbonyl-2-pyridinyl)-3,4-dihydroxybutanoic acid
CID 171878354
ethyl 6-(4-bromo-1,2-dihydroxybutyl)pyridine-2-carboxylate
CID 171892688
ethyl 6-(2-aminopropoxy)pyridine-2-carboxylate
CID 155937838
ethyl 6-bromopyridine-2-carboxylate
CID 2758810
(2S)-2-amino-2-(6-ethyl-2-pyridinyl)ethanol
CID 175632849
diethoxymethoxyethane;ethyl 6-(diethoxymethyl)pyridine-2-carboxylate;ethyl 6-formylpyridine-2-carboxylate
CID 162141266
sodium;ethyl 6-(hydroxymethyl)pyridine-2-carboxylate;6-(hydroxymethyl)pyridine-2-carboxylic acid;methanol;hydroxide
CID 159405801
ethyl 6-[2,3-dihydro-1,3-thiazol-4-yl(hydroxy)methyl]pyridine-2-carboxylate
CID 162531782
ethyl pyridine-2-carboxylate
CID 17307
2-O-ethyl 6-O-tridecyl pyridine-2,6-dicarboxylate
CID 91732217

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(1S)-1-amino-2-hydroxyethyl]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-[(1S)-1-amino-2-hydroxyethyl]pyridine-2-carboxylate (CID 131869074) is ethyl 6-[(1S)-1-amino-2-hydroxyethyl]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-[(1S)-1-amino-2-hydroxyethyl]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-[(1S)-1-amino-2-hydroxyethyl]pyridine-2-carboxylate is CCOC(=O)c1cccc([C@H](N)CO)n1.
What is the InChIKey of ethyl 6-[(1S)-1-amino-2-hydroxyethyl]pyridine-2-carboxylate?
The InChIKey is QDQVLRZKJWJEKY-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-2-15-10(14)9-5-3-4-8(12-9)7(11)6-13/h3-5,7,13H,2,6,11H2,1H3/t7-/m1/s1.
What are the key properties of ethyl 6-[(1S)-1-amino-2-hydroxyethyl]pyridine-2-carboxylate?
ethyl 6-[(1S)-1-amino-2-hydroxyethyl]pyridine-2-carboxylate has a molecular weight of 210.23 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(1S)-1-amino-2-hydroxyethyl]pyridine-2-carboxylate is sourced from PubChem (CID 131869074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).