4-[(1R)-1-amino-2-cyanoethyl]pyridine-2-carboxylic acid

C9H9N3O2 — CID 130614729

IUPAC4-[(1R)-1-amino-2-cyanoethyl]pyridine-2-carboxylic acid
SMILESN#CC[C@@H](N)c1ccnc(C(=O)O)c1
InChIInChI=1S/C9H9N3O2/c10-3-1-7(11)6-2-4-12-8(5-6)9(13)14/h2,4-5,7H,1,11H2,(H,13,14)/t7-/m1/s1
InChIKeyXYTDDHOPLZSLIT-SSDOTTSWSA-N
MW191.19 g/mol
LogP0.69
Rot. Bonds3

About 4-[(1R)-1-amino-2-cyanoethyl]pyridine-2-carboxylic acid

4-[(1R)-1-amino-2-cyanoethyl]pyridine-2-carboxylic acid (PubChem CID 130614729) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 4-[(1R)-1-amino-2-cyanoethyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(1R)-1-amino-2-cyanoethyl]pyridine-2-carboxylic acid
PubChem CID130614729
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name4-[(1R)-1-amino-2-cyanoethyl]pyridine-2-carboxylic acid
SMILESN#CC[C@@H](N)c1ccnc(C(=O)O)c1
InChIInChI=1S/C9H9N3O2/c10-3-1-7(11)6-2-4-12-8(5-6)9(13)14/h2,4-5,7H,1,11H2,(H,13,14)/t7-/m1/s1
InChIKeyXYTDDHOPLZSLIT-SSDOTTSWSA-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

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Related Compounds

4-(3-cyano-1,2-dihydroxypropyl)pyridine-2-carboxylic acid
CID 171901062
4-[(1R)-1-aminopropyl]pyridine-2-carboxylic acid
CID 55293398
(3R)-3-amino-3-(2-chloro-4-pyridinyl)propanenitrile
CID 55276398
3-amino-3-(2-fluoro-4-pyridinyl)propanenitrile
CID 55293179
5-[(1R)-1-amino-2-cyanoethyl]pyridine-3-carboxylic acid
CID 55276539
4-[(1S)-1-amino-2-cyanoethyl]benzoic acid
CID 130706454
(3R)-3-amino-3-quinoxalin-6-ylpropanenitrile
CID 55276938
4-aminopyridine-2-carboxylic acid;hydrate
CID 74892475
4-(3-cyanoprop-1-enyl)pyridine-2-carboxylic acid
CID 170799753
(3R)-3-amino-3-(3-hydroxyphenyl)propanenitrile;hydrochloride
CID 171260279
4-[cyclopropyl(hydroxy)methyl]pyridine-2-carboxylic acid
CID 167511421
(3S)-3-amino-3-(4-amino-3-hydroxyphenyl)propanenitrile
CID 130619063

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-amino-2-cyanoethyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(1R)-1-amino-2-cyanoethyl]pyridine-2-carboxylic acid (CID 130614729) is 4-[(1R)-1-amino-2-cyanoethyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(1R)-1-amino-2-cyanoethyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(1R)-1-amino-2-cyanoethyl]pyridine-2-carboxylic acid is N#CC[C@@H](N)c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[(1R)-1-amino-2-cyanoethyl]pyridine-2-carboxylic acid?
The InChIKey is XYTDDHOPLZSLIT-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H9N3O2/c10-3-1-7(11)6-2-4-12-8(5-6)9(13)14/h2,4-5,7H,1,11H2,(H,13,14)/t7-/m1/s1.
What are the key properties of 4-[(1R)-1-amino-2-cyanoethyl]pyridine-2-carboxylic acid?
4-[(1R)-1-amino-2-cyanoethyl]pyridine-2-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 4-[(1R)-1-amino-2-cyanoethyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 130614729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).