2-(2-amino-2-oxoethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid

C8H10N4O3 — CID 67379807

IUPAC2-(2-amino-2-oxoethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid
SMILESNC(=O)Cn1cc2c(n1)CN(C(=O)O)C2
InChIInChI=1S/C8H10N4O3/c9-7(13)4-12-2-5-1-11(8(14)15)3-6(5)10-12/h2H,1,3-4H2,(H2,9,13)(H,14,15)
InChIKeyBYWIUYGJPYSEHV-UHFFFAOYSA-N
MW210.19 g/mol
LogP-0.64
Rot. Bonds2

About 2-(2-amino-2-oxoethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid

2-(2-amino-2-oxoethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid (PubChem CID 67379807) has the molecular formula C8H10N4O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-amino-2-oxoethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid
PubChem CID67379807
Molecular FormulaC8H10N4O3
Molecular Weight210.19 g/mol
Exact Mass210.08
IUPAC Name2-(2-amino-2-oxoethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid
SMILESNC(=O)Cn1cc2c(n1)CN(C(=O)O)C2
InChIInChI=1S/C8H10N4O3/c9-7(13)4-12-2-5-1-11(8(14)15)3-6(5)10-12/h2H,1,3-4H2,(H2,9,13)(H,14,15)
InChIKeyBYWIUYGJPYSEHV-UHFFFAOYSA-N
XLogP-0.64
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid?
The IUPAC name of 2-(2-amino-2-oxoethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid (CID 67379807) is 2-(2-amino-2-oxoethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-amino-2-oxoethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid?
The canonical SMILES for 2-(2-amino-2-oxoethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid is NC(=O)Cn1cc2c(n1)CN(C(=O)O)C2.
What is the InChIKey of 2-(2-amino-2-oxoethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid?
The InChIKey is BYWIUYGJPYSEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3/c9-7(13)4-12-2-5-1-11(8(14)15)3-6(5)10-12/h2H,1,3-4H2,(H2,9,13)(H,14,15).
What are the key properties of 2-(2-amino-2-oxoethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid?
2-(2-amino-2-oxoethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid has a molecular weight of 210.19 g/mol, XLogP of -0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-oxoethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid is sourced from PubChem (CID 67379807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).