methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate

C12H17N3O3 — CID 114059817

IUPACmethyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate
SMILESCOCC1CCN(c2cnc(C(=O)OC)cn2)C1
InChIInChI=1S/C12H17N3O3/c1-17-8-9-3-4-15(7-9)11-6-13-10(5-14-11)12(16)18-2/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyFTDWKLTXNQWPPL-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.74
Rot. Bonds4

About methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate

methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate (PubChem CID 114059817) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate
PubChem CID114059817
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Namemethyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate
SMILESCOCC1CCN(c2cnc(C(=O)OC)cn2)C1
InChIInChI=1S/C12H17N3O3/c1-17-8-9-3-4-15(7-9)11-6-13-10(5-14-11)12(16)18-2/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyFTDWKLTXNQWPPL-UHFFFAOYSA-N
XLogP0.74
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazine-2-carboxylate
CID 166507892
methyl 5-(3-acetamidopyrrolidin-1-yl)pyrazine-2-carboxylate
CID 114059854
6-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129371025
methyl 5-(3,4-dimethoxypyrrolidin-1-yl)pyrazine-2-carboxylate
CID 114059884
methyl 2-[4-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 80571616
methyl 2-amino-5-[3-(methoxymethyl)pyrrolidin-1-yl]pyridine-4-carboxylate
CID 114195170
methyl 5-amino-6-[4-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylate
CID 114406710
2-[1-(6-methoxycarbonylpyrazin-2-yl)pyrrolidin-3-yl]acetic acid
CID 66455444
methyl 5-(1,3-dihydroisoindol-2-yl)pyrazine-2-carboxylate
CID 114059785
methyl 6-[3-(aminomethyl)pyrrolidin-1-yl]pyridazine-3-carboxylate
CID 62063099
methyl 5-(2-ethylpiperidin-1-yl)pyrazine-2-carboxylate
CID 104696638
5-[3-(2-methylpropyl)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 122048917

Frequently Asked Questions

What is the IUPAC name of methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate (CID 114059817) is methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate is COCC1CCN(c2cnc(C(=O)OC)cn2)C1.
What is the InChIKey of methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate?
The InChIKey is FTDWKLTXNQWPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-17-8-9-3-4-15(7-9)11-6-13-10(5-14-11)12(16)18-2/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate?
methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate has a molecular weight of 251.29 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate is sourced from PubChem (CID 114059817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).