5-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid

C16H17N3O5 — CID 120690417

IUPAC5-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid
SMILESCOCc1ccc(C2CCCN2C(=O)c2cnc(C(=O)O)cn2)o1
InChIInChI=1S/C16H17N3O5/c1-23-9-10-4-5-14(24-10)13-3-2-6-19(13)15(20)11-7-18-12(8-17-11)16(21)22/h4-5,7-8,13H,2-3,6,9H2,1H3,(H,21,22)
InChIKeyALKRNRHJKAZHCH-UHFFFAOYSA-N
MW331.33 g/mol
LogP1.89
Rot. Bonds5

About 5-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid

5-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid (PubChem CID 120690417) has the molecular formula C16H17N3O5 and a molecular weight of 331.33 g/mol. Its IUPAC name is 5-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid
PubChem CID120690417
Molecular FormulaC16H17N3O5
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC Name5-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid
SMILESCOCc1ccc(C2CCCN2C(=O)c2cnc(C(=O)O)cn2)o1
InChIInChI=1S/C16H17N3O5/c1-23-9-10-4-5-14(24-10)13-3-2-6-19(13)15(20)11-7-18-12(8-17-11)16(21)22/h4-5,7-8,13H,2-3,6,9H2,1H3,(H,21,22)
InChIKeyALKRNRHJKAZHCH-UHFFFAOYSA-N
XLogP1.89
TPSA105.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-(1-propan-2-ylimidazol-4-yl)methanone
CID 124874162
(3-hydroxy-2-pyridinyl)-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methanone
CID 91661571
2-(dimethylamino)-1-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]ethanone
CID 86796200
(5-ethyl-1,2,4-oxadiazol-3-yl)-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methanone
CID 136532778
[2-chloro-6-(methylamino)-4-pyridinyl]-[(2S)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methanone
CID 97309825
4-[[2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023822
[(2R)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-[(4S)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]methanone
CID 99715113
5-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]pyrazine-2-carboxylic acid
CID 122048062
(2R)-N-[[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]methyl]-2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carboxamide
CID 99637404
[(2S)-2-(5-ethylfuran-2-yl)piperidin-1-yl]-[3-(methoxymethyl)-1,2-oxazol-4-yl]methanone
CID 164639845
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carboxamide
CID 139005572
methyl (2S)-2-[(2R)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]propanoate
CID 124573623

Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid (CID 120690417) is 5-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid is COCc1ccc(C2CCCN2C(=O)c2cnc(C(=O)O)cn2)o1.
What is the InChIKey of 5-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid?
The InChIKey is ALKRNRHJKAZHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5/c1-23-9-10-4-5-14(24-10)13-3-2-6-19(13)15(20)11-7-18-12(8-17-11)16(21)22/h4-5,7-8,13H,2-3,6,9H2,1H3,(H,21,22).
What are the key properties of 5-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid?
5-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid has a molecular weight of 331.33 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120690417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).