3-[(5-oxopyrrolidine-3-carbonyl)amino]pyrazine-2-carboxylic acid

C10H10N4O4 — CID 83191694

IUPAC3-[(5-oxopyrrolidine-3-carbonyl)amino]pyrazine-2-carboxylic acid
SMILESO=C1CC(C(=O)Nc2nccnc2C(=O)O)CN1
InChIInChI=1S/C10H10N4O4/c15-6-3-5(4-13-6)9(16)14-8-7(10(17)18)11-1-2-12-8/h1-2,5H,3-4H2,(H,13,15)(H,17,18)(H,12,14,16)
InChIKeyRHDGNWOTPKWJIQ-UHFFFAOYSA-N
MW250.21 g/mol
LogP-0.75
Rot. Bonds3

About 3-[(5-oxopyrrolidine-3-carbonyl)amino]pyrazine-2-carboxylic acid

3-[(5-oxopyrrolidine-3-carbonyl)amino]pyrazine-2-carboxylic acid (PubChem CID 83191694) has the molecular formula C10H10N4O4 and a molecular weight of 250.21 g/mol. Its IUPAC name is 3-[(5-oxopyrrolidine-3-carbonyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(5-oxopyrrolidine-3-carbonyl)amino]pyrazine-2-carboxylic acid
PubChem CID83191694
Molecular FormulaC10H10N4O4
Molecular Weight250.21 g/mol
Exact Mass250.07
IUPAC Name3-[(5-oxopyrrolidine-3-carbonyl)amino]pyrazine-2-carboxylic acid
SMILESO=C1CC(C(=O)Nc2nccnc2C(=O)O)CN1
InChIInChI=1S/C10H10N4O4/c15-6-3-5(4-13-6)9(16)14-8-7(10(17)18)11-1-2-12-8/h1-2,5H,3-4H2,(H,13,15)(H,17,18)(H,12,14,16)
InChIKeyRHDGNWOTPKWJIQ-UHFFFAOYSA-N
XLogP-0.75
TPSA121.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-oxo-N-(1,2,4-triazin-3-yl)pyrrolidine-3-carboxamide
CID 114388995
4-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
CID 82889171
N-(5-bromo-3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 81489355
3-acetamidopyrazine-2-carboxylic acid
CID 10511603
N-[4-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982525
3-[[(2R)-oxolane-2-carbonyl]amino]pyrazine-2-carboxylic acid
CID 104855685
3-[(2,4,5-trimethyloxolane-3-carbonyl)amino]pyrazine-2-carboxylic acid
CID 65157287
3-(bicyclo[2.2.1]heptane-2-carbonylamino)pyrazine-2-carboxylic acid
CID 63261862
N-(1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 83137183
5-[(6-oxopiperidine-3-carbonyl)amino]pyridine-2-carboxylic acid
CID 83192913
2-hydroxy-5-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
CID 83192489
3-chloro-5-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
CID 83192367

Frequently Asked Questions

What is the IUPAC name of 3-[(5-oxopyrrolidine-3-carbonyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(5-oxopyrrolidine-3-carbonyl)amino]pyrazine-2-carboxylic acid (CID 83191694) is 3-[(5-oxopyrrolidine-3-carbonyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(5-oxopyrrolidine-3-carbonyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(5-oxopyrrolidine-3-carbonyl)amino]pyrazine-2-carboxylic acid is O=C1CC(C(=O)Nc2nccnc2C(=O)O)CN1.
What is the InChIKey of 3-[(5-oxopyrrolidine-3-carbonyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is RHDGNWOTPKWJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4/c15-6-3-5(4-13-6)9(16)14-8-7(10(17)18)11-1-2-12-8/h1-2,5H,3-4H2,(H,13,15)(H,17,18)(H,12,14,16).
What are the key properties of 3-[(5-oxopyrrolidine-3-carbonyl)amino]pyrazine-2-carboxylic acid?
3-[(5-oxopyrrolidine-3-carbonyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 250.21 g/mol, XLogP of -0.75, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-oxopyrrolidine-3-carbonyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 83191694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).