1-(2-amino-2-oxoethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid

C8H10N4O3 — CID 67957756

IUPAC1-(2-amino-2-oxoethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid
SMILESNC(=O)Cn1ncc2c1CN(C(=O)O)C2
InChIInChI=1S/C8H10N4O3/c9-7(13)4-12-6-3-11(8(14)15)2-5(6)1-10-12/h1H,2-4H2,(H2,9,13)(H,14,15)
InChIKeyPFXUIELEVIFCRK-UHFFFAOYSA-N
MW210.19 g/mol
LogP-0.64
Rot. Bonds2

About 1-(2-amino-2-oxoethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid

1-(2-amino-2-oxoethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid (PubChem CID 67957756) has the molecular formula C8H10N4O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid
PubChem CID67957756
Molecular FormulaC8H10N4O3
Molecular Weight210.19 g/mol
Exact Mass210.08
IUPAC Name1-(2-amino-2-oxoethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid
SMILESNC(=O)Cn1ncc2c1CN(C(=O)O)C2
InChIInChI=1S/C8H10N4O3/c9-7(13)4-12-6-3-11(8(14)15)2-5(6)1-10-12/h1H,2-4H2,(H2,9,13)(H,14,15)
InChIKeyPFXUIELEVIFCRK-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 1-(2-amino-2-oxoethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid?
The IUPAC name of 1-(2-amino-2-oxoethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid (CID 67957756) is 1-(2-amino-2-oxoethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid is NC(=O)Cn1ncc2c1CN(C(=O)O)C2.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid?
The InChIKey is PFXUIELEVIFCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3/c9-7(13)4-12-6-3-11(8(14)15)2-5(6)1-10-12/h1H,2-4H2,(H2,9,13)(H,14,15).
What are the key properties of 1-(2-amino-2-oxoethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid?
1-(2-amino-2-oxoethyl)-4,6-dihydropyrrolo[3,4-d]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 1-(2-amino-2-oxoethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid is sourced from PubChem (CID 67957756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).