(2S)-2-(ethoxymethyl)-2H-pyridine-1-carboxylic acid

C9H13NO3 — CID 69080015

IUPAC(2S)-2-(ethoxymethyl)-2H-pyridine-1-carboxylic acid
SMILESCCOC[C@@H]1C=CC=CN1C(=O)O
InChIInChI=1S/C9H13NO3/c1-2-13-7-8-5-3-4-6-10(8)9(11)12/h3-6,8H,2,7H2,1H3,(H,11,12)/t8-/m0/s1
InChIKeyABEHVTKSRBNEFE-QMMMGPOBSA-N
MW183.21 g/mol
LogP1.46
Rot. Bonds3

About (2S)-2-(ethoxymethyl)-2H-pyridine-1-carboxylic acid

(2S)-2-(ethoxymethyl)-2H-pyridine-1-carboxylic acid (PubChem CID 69080015) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is (2S)-2-(ethoxymethyl)-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-(ethoxymethyl)-2H-pyridine-1-carboxylic acid
PubChem CID69080015
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name(2S)-2-(ethoxymethyl)-2H-pyridine-1-carboxylic acid
SMILESCCOC[C@@H]1C=CC=CN1C(=O)O
InChIInChI=1S/C9H13NO3/c1-2-13-7-8-5-3-4-6-10(8)9(11)12/h3-6,8H,2,7H2,1H3,(H,11,12)/t8-/m0/s1
InChIKeyABEHVTKSRBNEFE-QMMMGPOBSA-N
XLogP1.46
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(ethoxymethyl)-2H-pyridine-1-carboxylic acid?
The IUPAC name of (2S)-2-(ethoxymethyl)-2H-pyridine-1-carboxylic acid (CID 69080015) is (2S)-2-(ethoxymethyl)-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for (2S)-2-(ethoxymethyl)-2H-pyridine-1-carboxylic acid?
The canonical SMILES for (2S)-2-(ethoxymethyl)-2H-pyridine-1-carboxylic acid is CCOC[C@@H]1C=CC=CN1C(=O)O.
What is the InChIKey of (2S)-2-(ethoxymethyl)-2H-pyridine-1-carboxylic acid?
The InChIKey is ABEHVTKSRBNEFE-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H13NO3/c1-2-13-7-8-5-3-4-6-10(8)9(11)12/h3-6,8H,2,7H2,1H3,(H,11,12)/t8-/m0/s1.
What are the key properties of (2S)-2-(ethoxymethyl)-2H-pyridine-1-carboxylic acid?
(2S)-2-(ethoxymethyl)-2H-pyridine-1-carboxylic acid has a molecular weight of 183.21 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(ethoxymethyl)-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 69080015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).