5-[(1R)-1-amino-2-cyanoethyl]pyridine-3-carboxylic acid

C9H9N3O2 — CID 55276539

IUPAC5-[(1R)-1-amino-2-cyanoethyl]pyridine-3-carboxylic acid
SMILESN#CC[C@@H](N)c1cncc(C(=O)O)c1
InChIInChI=1S/C9H9N3O2/c10-2-1-8(11)6-3-7(9(13)14)5-12-4-6/h3-5,8H,1,11H2,(H,13,14)/t8-/m1/s1
InChIKeyIOYHLMSTKBUDNE-MRVPVSSYSA-N
MW191.19 g/mol
LogP0.69
Rot. Bonds3

About 5-[(1R)-1-amino-2-cyanoethyl]pyridine-3-carboxylic acid

5-[(1R)-1-amino-2-cyanoethyl]pyridine-3-carboxylic acid (PubChem CID 55276539) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 5-[(1R)-1-amino-2-cyanoethyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(1R)-1-amino-2-cyanoethyl]pyridine-3-carboxylic acid
PubChem CID55276539
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name5-[(1R)-1-amino-2-cyanoethyl]pyridine-3-carboxylic acid
SMILESN#CC[C@@H](N)c1cncc(C(=O)O)c1
InChIInChI=1S/C9H9N3O2/c10-2-1-8(11)6-3-7(9(13)14)5-12-4-6/h3-5,8H,1,11H2,(H,13,14)/t8-/m1/s1
InChIKeyIOYHLMSTKBUDNE-MRVPVSSYSA-N
XLogP0.69
TPSA100.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(1R)-1-amino-2-cyanoethyl]pyridine-3-carboxylic acid 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

5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carboxylic acid
CID 171901054
4-[(1S)-1-amino-2-cyanoethyl]benzoic acid
CID 130706454
(3S)-3-amino-3-(5-bromo-3-pyridinyl)propanenitrile;hydrochloride
CID 171259817
4-[(1R)-1-amino-2-cyanoethyl]pyridine-2-carboxylic acid
CID 130614729
5-(1-amino-2-hydroxypropyl)pyridine-3-carboxylic acid
CID 55268758
5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbohydrazide
CID 171901473
5-[(1R)-1-(methylamino)ethyl]pyridine-3-carboxylic acid
CID 131138422
5-(1,2,3-trihydroxypropyl)pyridine-3-carboxylic acid
CID 170817946
5-cyanopyridine-3-carboxylic acid
CID 22174782
pyridine-3,5-dicarboxylic acid;hydrochloride
CID 66910809
pyridine-3,5-dicarboxylic acid;dihydrobromide
CID 139466512
(3S)-3-amino-3-pyridin-3-ylpropanenitrile;hydrochloride
CID 171259888

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-amino-2-cyanoethyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(1R)-1-amino-2-cyanoethyl]pyridine-3-carboxylic acid (CID 55276539) is 5-[(1R)-1-amino-2-cyanoethyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(1R)-1-amino-2-cyanoethyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(1R)-1-amino-2-cyanoethyl]pyridine-3-carboxylic acid is N#CC[C@@H](N)c1cncc(C(=O)O)c1.
What is the InChIKey of 5-[(1R)-1-amino-2-cyanoethyl]pyridine-3-carboxylic acid?
The InChIKey is IOYHLMSTKBUDNE-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H9N3O2/c10-2-1-8(11)6-3-7(9(13)14)5-12-4-6/h3-5,8H,1,11H2,(H,13,14)/t8-/m1/s1.
What are the key properties of 5-[(1R)-1-amino-2-cyanoethyl]pyridine-3-carboxylic acid?
5-[(1R)-1-amino-2-cyanoethyl]pyridine-3-carboxylic acid has a molecular weight of 191.19 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-amino-2-cyanoethyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 55276539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).