1-(3-carbamoylpyrazin-2-yl)pyrrolidine-2-carboxylic acid

C10H12N4O3 — CID 62684493

IUPAC1-(3-carbamoylpyrazin-2-yl)pyrrolidine-2-carboxylic acid
SMILESNC(=O)c1nccnc1N1CCCC1C(=O)O
InChIInChI=1S/C10H12N4O3/c11-8(15)7-9(13-4-3-12-7)14-5-1-2-6(14)10(16)17/h3-4,6H,1-2,5H2,(H2,11,15)(H,16,17)
InChIKeyZSCPSWGVNOSCBU-UHFFFAOYSA-N
MW236.23 g/mol
LogP-0.37
Rot. Bonds3

About 1-(3-carbamoylpyrazin-2-yl)pyrrolidine-2-carboxylic acid

1-(3-carbamoylpyrazin-2-yl)pyrrolidine-2-carboxylic acid (PubChem CID 62684493) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 1-(3-carbamoylpyrazin-2-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-carbamoylpyrazin-2-yl)pyrrolidine-2-carboxylic acid
PubChem CID62684493
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name1-(3-carbamoylpyrazin-2-yl)pyrrolidine-2-carboxylic acid
SMILESNC(=O)c1nccnc1N1CCCC1C(=O)O
InChIInChI=1S/C10H12N4O3/c11-8(15)7-9(13-4-3-12-7)14-5-1-2-6(14)10(16)17/h3-4,6H,1-2,5H2,(H2,11,15)(H,16,17)
InChIKeyZSCPSWGVNOSCBU-UHFFFAOYSA-N
XLogP-0.37
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-carbamoyl-4-pyridinyl)pyrrolidine-2-carboxylic acid
CID 43517516
1-(3-hydroxy-2-pyridinyl)piperidine-2-carboxylic acid
CID 71649558
(2S)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 28873916
(2R)-1-(3-aminopyrazine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 119371307
1-(7-methylisoquinolin-1-yl)pyrrolidine-2-carboxylic acid
CID 82570875
2-(2-carbamoylpyrrolidin-1-yl)-3-fluoropyridine-4-carboxylic acid
CID 105381860
(2S)-1-(3-phenyl-2-pyridinyl)pyrrolidine-2-carboxamide
CID 58067491
1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 84818658
1-(4-cyclopropyl-3-oxopyrazin-2-yl)azepane-2-carboxylic acid
CID 64562162
(2S)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586857
(2R)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586856
2-[1-(3-carbamoylpyrazin-2-yl)azetidin-3-yl]acetic acid
CID 64616457

Frequently Asked Questions

What is the IUPAC name of 1-(3-carbamoylpyrazin-2-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3-carbamoylpyrazin-2-yl)pyrrolidine-2-carboxylic acid (CID 62684493) is 1-(3-carbamoylpyrazin-2-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-carbamoylpyrazin-2-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3-carbamoylpyrazin-2-yl)pyrrolidine-2-carboxylic acid is NC(=O)c1nccnc1N1CCCC1C(=O)O.
What is the InChIKey of 1-(3-carbamoylpyrazin-2-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is ZSCPSWGVNOSCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c11-8(15)7-9(13-4-3-12-7)14-5-1-2-6(14)10(16)17/h3-4,6H,1-2,5H2,(H2,11,15)(H,16,17).
What are the key properties of 1-(3-carbamoylpyrazin-2-yl)pyrrolidine-2-carboxylic acid?
1-(3-carbamoylpyrazin-2-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 236.23 g/mol, XLogP of -0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-carbamoylpyrazin-2-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 62684493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).