5-[[(2S)-oxolan-2-yl]methylamino]pyrazine-2-carboxylic acid

C10H13N3O3 — CID 166243247

IUPAC5-[[(2S)-oxolan-2-yl]methylamino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NC[C@@H]2CCCO2)cn1
InChIInChI=1S/C10H13N3O3/c14-10(15)8-5-13-9(6-11-8)12-4-7-2-1-3-16-7/h5-7H,1-4H2,(H,12,13)(H,14,15)/t7-/m0/s1
InChIKeyBUQAAXXQTJFHPG-ZETCQYMHSA-N
MW223.23 g/mol
LogP0.77
Rot. Bonds4

About 5-[[(2S)-oxolan-2-yl]methylamino]pyrazine-2-carboxylic acid

5-[[(2S)-oxolan-2-yl]methylamino]pyrazine-2-carboxylic acid (PubChem CID 166243247) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 5-[[(2S)-oxolan-2-yl]methylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2S)-oxolan-2-yl]methylamino]pyrazine-2-carboxylic acid
PubChem CID166243247
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name5-[[(2S)-oxolan-2-yl]methylamino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NC[C@@H]2CCCO2)cn1
InChIInChI=1S/C10H13N3O3/c14-10(15)8-5-13-9(6-11-8)12-4-7-2-1-3-16-7/h5-7H,1-4H2,(H,12,13)(H,14,15)/t7-/m0/s1
InChIKeyBUQAAXXQTJFHPG-ZETCQYMHSA-N
XLogP0.77
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[(2S)-oxolan-2-yl]methylamino]pyrazine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methylpiperazin-1-yl)-[5-(oxolan-2-ylmethylamino)pyrazin-2-yl]methanone
CID 109276926
5-[(4-methylmorpholin-2-yl)methylamino]pyrazine-2-carboxylic acid
CID 79070897
(2-ethylpiperidin-1-yl)-[5-(oxolan-2-ylmethylamino)pyrazin-2-yl]methanone
CID 109276987
5-(3,4-dihydro-2H-pyran-2-ylmethylamino)pyrazine-2-carboxylic acid
CID 122055664
6-[[(2S)-oxolan-2-yl]methylamino]pyridine-2-carboxylic acid
CID 94378458
5-(1-oxaspiro[4.5]decan-2-ylmethylamino)pyrazine-2-carboxylic acid
CID 122056450
[4-(3-methylphenyl)piperazin-1-yl]-[5-(oxolan-2-ylmethylamino)pyrazin-2-yl]methanone
CID 109276969
N-(oxolan-2-ylmethyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109153510
5-(butan-2-ylamino)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 109273316
N-(5-chloro-2-methoxyphenyl)-5-(oxolan-2-ylmethylamino)pyrazine-2-carboxamide
CID 109277030
5-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 43104324
N-ethyl-5-(ethylamino)-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 107374808

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-oxolan-2-yl]methylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[(2S)-oxolan-2-yl]methylamino]pyrazine-2-carboxylic acid (CID 166243247) is 5-[[(2S)-oxolan-2-yl]methylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[(2S)-oxolan-2-yl]methylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[(2S)-oxolan-2-yl]methylamino]pyrazine-2-carboxylic acid is O=C(O)c1cnc(NC[C@@H]2CCCO2)cn1.
What is the InChIKey of 5-[[(2S)-oxolan-2-yl]methylamino]pyrazine-2-carboxylic acid?
The InChIKey is BUQAAXXQTJFHPG-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-10(15)8-5-13-9(6-11-8)12-4-7-2-1-3-16-7/h5-7H,1-4H2,(H,12,13)(H,14,15)/t7-/m0/s1.
What are the key properties of 5-[[(2S)-oxolan-2-yl]methylamino]pyrazine-2-carboxylic acid?
5-[[(2S)-oxolan-2-yl]methylamino]pyrazine-2-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-oxolan-2-yl]methylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 166243247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).