1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid

C9H12N4O3 — CID 136958314

IUPAC1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESNc1c(N2CCCC2C(=O)O)nc[nH]c1=O
InChIInChI=1S/C9H12N4O3/c10-6-7(11-4-12-8(6)14)13-3-1-2-5(13)9(15)16/h4-5H,1-3,10H2,(H,15,16)(H,11,12,14)
InChIKeyRKDZQAADIIIESN-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.59
Rot. Bonds2

About 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid

1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid (PubChem CID 136958314) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
PubChem CID136958314
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESNc1c(N2CCCC2C(=O)O)nc[nH]c1=O
InChIInChI=1S/C9H12N4O3/c10-6-7(11-4-12-8(6)14)13-3-1-2-5(13)9(15)16/h4-5H,1-3,10H2,(H,15,16)(H,11,12,14)
InChIKeyRKDZQAADIIIESN-UHFFFAOYSA-N
XLogP-0.59
TPSA112.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid (CID 136958314) is 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid is Nc1c(N2CCCC2C(=O)O)nc[nH]c1=O.
What is the InChIKey of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is RKDZQAADIIIESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c10-6-7(11-4-12-8(6)14)13-3-1-2-5(13)9(15)16/h4-5H,1-3,10H2,(H,15,16)(H,11,12,14).
What are the key properties of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of -0.59, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 136958314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).