5-[(1S)-1-aminoethyl]-2-methoxypyridine-3-carboxylic acid

C9H12N2O3 — CID 130735023

IUPAC5-[(1S)-1-aminoethyl]-2-methoxypyridine-3-carboxylic acid
SMILESCOc1ncc([C@H](C)N)cc1C(=O)O
InChIInChI=1S/C9H12N2O3/c1-5(10)6-3-7(9(12)13)8(14-2)11-4-6/h3-5H,10H2,1-2H3,(H,12,13)/t5-/m0/s1
InChIKeyYXYJKQWQSHVOSD-YFKPBYRVSA-N
MW196.21 g/mol
LogP0.81
Rot. Bonds3

About 5-[(1S)-1-aminoethyl]-2-methoxypyridine-3-carboxylic acid

5-[(1S)-1-aminoethyl]-2-methoxypyridine-3-carboxylic acid (PubChem CID 130735023) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 5-[(1S)-1-aminoethyl]-2-methoxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(1S)-1-aminoethyl]-2-methoxypyridine-3-carboxylic acid
PubChem CID130735023
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name5-[(1S)-1-aminoethyl]-2-methoxypyridine-3-carboxylic acid
SMILESCOc1ncc([C@H](C)N)cc1C(=O)O
InChIInChI=1S/C9H12N2O3/c1-5(10)6-3-7(9(12)13)8(14-2)11-4-6/h3-5H,10H2,1-2H3,(H,12,13)/t5-/m0/s1
InChIKeyYXYJKQWQSHVOSD-YFKPBYRVSA-N
XLogP0.81
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-aminoethyl)-2-methoxybenzoic acid
CID 105448790
5-(3,5-dimethoxyphenyl)-2-methoxypyridine-3-carboxylic acid
CID 53223784
2-methoxy-5-(4-methoxyphenyl)pyridine-3-carboxylic acid
CID 53222794
2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid
CID 170171990
2-methoxy-5-pyridin-3-ylpyridine-3-carboxylic acid
CID 46317360
5-(3-fluorophenyl)-2-methoxypyridine-3-carboxylic acid
CID 46314070
5-(1-aminoethyl)-2-chlorobenzoic acid
CID 55271591
5-(2,4-dimethylphenyl)-2-methoxypyridine-3-carboxylic acid
CID 53222707
5-(3-bromophenyl)-2-methoxypyridine-3-carboxylic acid
CID 117222132
2-methoxy-5-methylpyridine-3-carboxamide
CID 123709075
5-(5-formylthiophen-3-yl)-2-methoxypyridine-3-carboxylic acid
CID 53222973
3-methoxy-6-(2-methylpropyl)pyridazine-4-carboxylic acid
CID 117127052

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-aminoethyl]-2-methoxypyridine-3-carboxylic acid?
The IUPAC name of 5-[(1S)-1-aminoethyl]-2-methoxypyridine-3-carboxylic acid (CID 130735023) is 5-[(1S)-1-aminoethyl]-2-methoxypyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(1S)-1-aminoethyl]-2-methoxypyridine-3-carboxylic acid?
The canonical SMILES for 5-[(1S)-1-aminoethyl]-2-methoxypyridine-3-carboxylic acid is COc1ncc([C@H](C)N)cc1C(=O)O.
What is the InChIKey of 5-[(1S)-1-aminoethyl]-2-methoxypyridine-3-carboxylic acid?
The InChIKey is YXYJKQWQSHVOSD-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-5(10)6-3-7(9(12)13)8(14-2)11-4-6/h3-5H,10H2,1-2H3,(H,12,13)/t5-/m0/s1.
What are the key properties of 5-[(1S)-1-aminoethyl]-2-methoxypyridine-3-carboxylic acid?
5-[(1S)-1-aminoethyl]-2-methoxypyridine-3-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-aminoethyl]-2-methoxypyridine-3-carboxylic acid is sourced from PubChem (CID 130735023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).