3-amino-1-(5-cyanopyrazin-2-yl)pyrrolidine-3-carboxylic acid

C10H11N5O2 — CID 107325250

IUPAC3-amino-1-(5-cyanopyrazin-2-yl)pyrrolidine-3-carboxylic acid
SMILESN#Cc1cnc(N2CCC(N)(C(=O)O)C2)cn1
InChIInChI=1S/C10H11N5O2/c11-3-7-4-14-8(5-13-7)15-2-1-10(12,6-15)9(16)17/h4-5H,1-2,6,12H2,(H,16,17)
InChIKeyRKHGQVWOOUGCRR-UHFFFAOYSA-N
MW233.23 g/mol
LogP-0.66
Rot. Bonds2

About 3-amino-1-(5-cyanopyrazin-2-yl)pyrrolidine-3-carboxylic acid

3-amino-1-(5-cyanopyrazin-2-yl)pyrrolidine-3-carboxylic acid (PubChem CID 107325250) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 3-amino-1-(5-cyanopyrazin-2-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(5-cyanopyrazin-2-yl)pyrrolidine-3-carboxylic acid
PubChem CID107325250
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name3-amino-1-(5-cyanopyrazin-2-yl)pyrrolidine-3-carboxylic acid
SMILESN#Cc1cnc(N2CCC(N)(C(=O)O)C2)cn1
InChIInChI=1S/C10H11N5O2/c11-3-7-4-14-8(5-13-7)15-2-1-10(12,6-15)9(16)17/h4-5H,1-2,6,12H2,(H,16,17)
InChIKeyRKHGQVWOOUGCRR-UHFFFAOYSA-N
XLogP-0.66
TPSA116.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(6-azaspiro[3.4]octan-6-yl)pyrazine-2-carbonitrile
CID 133491304
3-amino-1-(5-fluoro-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 107325252
5-(2-oxa-7-azaspiro[4.4]nonan-7-yl)pyrazine-2-carbonitrile
CID 133491090
3-amino-1-(5-cyano-3-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 107325463
5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazine-2-carbonitrile
CID 133291219
3-amino-1-(4-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 107325196
3-amino-1-(5-chloro-2-cyanophenyl)pyrrolidine-3-carboxylic acid
CID 107325093
5-(3-methyl-3-propylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 133484886
3-amino-1-(5-nitropyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 107325477
5-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 104696756
5-(3-hydroxy-4-methylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 104918116
5-(2-methyl-2-phenylmorpholin-4-yl)pyrazine-2-carbonitrile
CID 133491418

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-cyanopyrazin-2-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(5-cyanopyrazin-2-yl)pyrrolidine-3-carboxylic acid (CID 107325250) is 3-amino-1-(5-cyanopyrazin-2-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(5-cyanopyrazin-2-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(5-cyanopyrazin-2-yl)pyrrolidine-3-carboxylic acid is N#Cc1cnc(N2CCC(N)(C(=O)O)C2)cn1.
What is the InChIKey of 3-amino-1-(5-cyanopyrazin-2-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is RKHGQVWOOUGCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c11-3-7-4-14-8(5-13-7)15-2-1-10(12,6-15)9(16)17/h4-5H,1-2,6,12H2,(H,16,17).
What are the key properties of 3-amino-1-(5-cyanopyrazin-2-yl)pyrrolidine-3-carboxylic acid?
3-amino-1-(5-cyanopyrazin-2-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 233.23 g/mol, XLogP of -0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-cyanopyrazin-2-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107325250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).