5-(3-carboxy-3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid

C11H13N3O4 — CID 122052353

IUPAC5-(3-carboxy-3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid
SMILESCC1(C(=O)O)CCN(c2cnc(C(=O)O)cn2)C1
InChIInChI=1S/C11H13N3O4/c1-11(10(17)18)2-3-14(6-11)8-5-12-7(4-13-8)9(15)16/h4-5H,2-3,6H2,1H3,(H,15,16)(H,17,18)
InChIKeyOHJWXZJRDKZFIU-UHFFFAOYSA-N
MW251.24 g/mol
LogP0.48
Rot. Bonds3

About 5-(3-carboxy-3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid

5-(3-carboxy-3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid (PubChem CID 122052353) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 5-(3-carboxy-3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-carboxy-3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid
PubChem CID122052353
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name5-(3-carboxy-3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid
SMILESCC1(C(=O)O)CCN(c2cnc(C(=O)O)cn2)C1
InChIInChI=1S/C11H13N3O4/c1-11(10(17)18)2-3-14(6-11)8-5-12-7(4-13-8)9(15)16/h4-5H,2-3,6H2,1H3,(H,15,16)(H,17,18)
InChIKeyOHJWXZJRDKZFIU-UHFFFAOYSA-N
XLogP0.48
TPSA103.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-(5-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 63147135
1-(6,7-difluoroquinoxalin-2-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 122052427
5-(azetidin-1-yl)pyrazine-2-carboxylic acid
CID 117102504
1-[5-(difluoromethoxy)-2-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122052517
5-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyrazine-2-carboxylic acid
CID 122057284
5-(8-methyl-2,8-diazaspiro[3.5]nonan-2-yl)pyrazine-2-carboxylic acid
CID 168758684
5-(4-methylpiperazin-1-yl)pyrazine-2-carboxylic acid;dihydrochloride
CID 170916735
1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122052361
3-methyl-1-(6-methylsulfanylpyrazin-2-yl)pyrrolidine-3-carboxylic acid
CID 122052560
3-methyl-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 122052448
5-(1-oxa-4-azaspiro[5.5]undecan-4-yl)pyrazine-2-carboxylic acid
CID 122057052
1-(3-bromo-5-chloro-2-pyridinyl)-3-methylpyrrolidine-3-carboxylic acid
CID 122052316

Frequently Asked Questions

What is the IUPAC name of 5-(3-carboxy-3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(3-carboxy-3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid (CID 122052353) is 5-(3-carboxy-3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(3-carboxy-3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(3-carboxy-3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid is CC1(C(=O)O)CCN(c2cnc(C(=O)O)cn2)C1.
What is the InChIKey of 5-(3-carboxy-3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid?
The InChIKey is OHJWXZJRDKZFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c1-11(10(17)18)2-3-14(6-11)8-5-12-7(4-13-8)9(15)16/h4-5H,2-3,6H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-(3-carboxy-3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid?
5-(3-carboxy-3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid has a molecular weight of 251.24 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-carboxy-3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 122052353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).