2-[(1S)-1-amino-2-methoxyethyl]pyridine-4-carboxylic acid

C9H12N2O3 — CID 55268372

IUPAC2-[(1S)-1-amino-2-methoxyethyl]pyridine-4-carboxylic acid
SMILESCOC[C@@H](N)c1cc(C(=O)O)ccn1
InChIInChI=1S/C9H12N2O3/c1-14-5-7(10)8-4-6(9(12)13)2-3-11-8/h2-4,7H,5,10H2,1H3,(H,12,13)/t7-/m1/s1
InChIKeyNYGRMVDYYAWHFS-SSDOTTSWSA-N
MW196.21 g/mol
LogP0.43
Rot. Bonds4

About 2-[(1S)-1-amino-2-methoxyethyl]pyridine-4-carboxylic acid

2-[(1S)-1-amino-2-methoxyethyl]pyridine-4-carboxylic acid (PubChem CID 55268372) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-[(1S)-1-amino-2-methoxyethyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(1S)-1-amino-2-methoxyethyl]pyridine-4-carboxylic acid
PubChem CID55268372
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-[(1S)-1-amino-2-methoxyethyl]pyridine-4-carboxylic acid
SMILESCOC[C@@H](N)c1cc(C(=O)O)ccn1
InChIInChI=1S/C9H12N2O3/c1-14-5-7(10)8-4-6(9(12)13)2-3-11-8/h2-4,7H,5,10H2,1H3,(H,12,13)/t7-/m1/s1
InChIKeyNYGRMVDYYAWHFS-SSDOTTSWSA-N
XLogP0.43
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2-amino-3-methoxypropanoyl)amino]methyl]pyridine-4-carboxylic acid
CID 113277599
2-[(1S)-1-amino-2-chloro-2-oxoethyl]pyridine-4-carboxylic acid
CID 87530358
tert-butyl 2-[(1R)-1-aminopropyl]pyridine-4-carboxylate
CID 66935363
2-[(S)-amino(cyclopropyl)methyl]pyridine-4-carboxylic acid
CID 130665479
2-methoxy-1-pyridin-2-ylethanamine;hydrochloride
CID 53398961
2-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid
CID 82951662
2-[(1-methoxypropan-2-ylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 113277666
2-methoxyethyl 2-[4-(2-methoxyethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylate
CID 122383458
2-(3-acetamido-1,2-dihydroxypropyl)pyridine-4-carboxylic acid
CID 170830150
2-(2,2,2-trimethoxyethyl)pyridine-4-carboxylic acid
CID 68836420
bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium
CID 11982105
2-[1-[4-(ethylsulfonylamino)anilino]ethyl]pyridine-4-carboxylic acid
CID 166387777

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-amino-2-methoxyethyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(1S)-1-amino-2-methoxyethyl]pyridine-4-carboxylic acid (CID 55268372) is 2-[(1S)-1-amino-2-methoxyethyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(1S)-1-amino-2-methoxyethyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(1S)-1-amino-2-methoxyethyl]pyridine-4-carboxylic acid is COC[C@@H](N)c1cc(C(=O)O)ccn1.
What is the InChIKey of 2-[(1S)-1-amino-2-methoxyethyl]pyridine-4-carboxylic acid?
The InChIKey is NYGRMVDYYAWHFS-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-14-5-7(10)8-4-6(9(12)13)2-3-11-8/h2-4,7H,5,10H2,1H3,(H,12,13)/t7-/m1/s1.
What are the key properties of 2-[(1S)-1-amino-2-methoxyethyl]pyridine-4-carboxylic acid?
2-[(1S)-1-amino-2-methoxyethyl]pyridine-4-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-amino-2-methoxyethyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 55268372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).