5-[(1R)-1-(methylamino)ethyl]pyridine-3-carboxylic acid

C9H12N2O2 — CID 131138422

IUPAC5-[(1R)-1-(methylamino)ethyl]pyridine-3-carboxylic acid
SMILESCN[C@H](C)c1cncc(C(=O)O)c1
InChIInChI=1S/C9H12N2O2/c1-6(10-2)7-3-8(9(12)13)5-11-4-7/h3-6,10H,1-2H3,(H,12,13)/t6-/m1/s1
InChIKeyULKPAKLRWKHLBF-ZCFIWIBFSA-N
MW180.21 g/mol
LogP1.06
Rot. Bonds3

About 5-[(1R)-1-(methylamino)ethyl]pyridine-3-carboxylic acid

5-[(1R)-1-(methylamino)ethyl]pyridine-3-carboxylic acid (PubChem CID 131138422) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 5-[(1R)-1-(methylamino)ethyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(1R)-1-(methylamino)ethyl]pyridine-3-carboxylic acid
PubChem CID131138422
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name5-[(1R)-1-(methylamino)ethyl]pyridine-3-carboxylic acid
SMILESCN[C@H](C)c1cncc(C(=O)O)c1
InChIInChI=1S/C9H12N2O2/c1-6(10-2)7-3-8(9(12)13)5-11-4-7/h3-6,10H,1-2H3,(H,12,13)/t6-/m1/s1
InChIKeyULKPAKLRWKHLBF-ZCFIWIBFSA-N
XLogP1.06
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-amino-2-hydroxypropyl)pyridine-3-carboxylic acid
CID 55268758
4-[(1R)-1-(methylamino)ethyl]benzoic acid
CID 55276325
5-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 79694248
pyridine-3,5-dicarboxylic acid;hydrochloride
CID 66910809
pyridine-3,5-dicarboxylic acid;dihydrobromide
CID 139466512
5-[(1R)-1-amino-2-cyanoethyl]pyridine-3-carboxylic acid
CID 55276539
5-(1,2,3-trihydroxypropyl)pyridine-3-carboxylic acid
CID 170817946
5-[(1-methoxy-1-oxopropan-2-yl)amino]pyridine-3-carboxylic acid
CID 82535240
5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carboxylic acid
CID 171901054
5-hydroxypyridine-3-carboxylic acid;hydrate
CID 139205503
5-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63158042
N,N-dimethyl-5-propan-2-ylpyridine-3-carboxamide
CID 59135268

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-(methylamino)ethyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(1R)-1-(methylamino)ethyl]pyridine-3-carboxylic acid (CID 131138422) is 5-[(1R)-1-(methylamino)ethyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(1R)-1-(methylamino)ethyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(1R)-1-(methylamino)ethyl]pyridine-3-carboxylic acid is CN[C@H](C)c1cncc(C(=O)O)c1.
What is the InChIKey of 5-[(1R)-1-(methylamino)ethyl]pyridine-3-carboxylic acid?
The InChIKey is ULKPAKLRWKHLBF-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6(10-2)7-3-8(9(12)13)5-11-4-7/h3-6,10H,1-2H3,(H,12,13)/t6-/m1/s1.
What are the key properties of 5-[(1R)-1-(methylamino)ethyl]pyridine-3-carboxylic acid?
5-[(1R)-1-(methylamino)ethyl]pyridine-3-carboxylic acid has a molecular weight of 180.21 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-(methylamino)ethyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 131138422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).