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

C9H12N4O4 — CID 136958340

IUPAC1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESNc1c(N2CC(O)CC2C(=O)O)nc[nH]c1=O
InChIInChI=1S/C9H12N4O4/c10-6-7(11-3-12-8(6)15)13-2-4(14)1-5(13)9(16)17/h3-5,14H,1-2,10H2,(H,16,17)(H,11,12,15)
InChIKeyXVMGWKRXZDCJOK-UHFFFAOYSA-N
MW240.22 g/mol
LogP-1.62
Rot. Bonds2

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

1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 136958340) has the molecular formula C9H12N4O4 and a molecular weight of 240.22 g/mol. Its IUPAC name is 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID136958340
Molecular FormulaC9H12N4O4
Molecular Weight240.22 g/mol
Exact Mass240.09
IUPAC Name1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESNc1c(N2CC(O)CC2C(=O)O)nc[nH]c1=O
InChIInChI=1S/C9H12N4O4/c10-6-7(11-3-12-8(6)15)13-2-4(14)1-5(13)9(16)17/h3-5,14H,1-2,10H2,(H,16,17)(H,11,12,15)
InChIKeyXVMGWKRXZDCJOK-UHFFFAOYSA-N
XLogP-1.62
TPSA132.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 5-1.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-6-(1-hydroxypropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;pyrrolidine-2-carboxylic acid
CID 143832258
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-2-carboxylic acid
CID 136880682
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 136958314
4-hydroxy-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 136958341
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methoxypyrrolidine-2-carboxylic acid
CID 136958389
4-methoxy-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 136958390
4-methoxy-1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 136958393
4-hydroxy-1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 137015727

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 136958340) is 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid is Nc1c(N2CC(O)CC2C(=O)O)nc[nH]c1=O.
What is the InChIKey of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is XVMGWKRXZDCJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O4/c10-6-7(11-3-12-8(6)15)13-2-4(14)1-5(13)9(16)17/h3-5,14H,1-2,10H2,(H,16,17)(H,11,12,15).
What are the key properties of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid?
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 240.22 g/mol, XLogP of -1.62, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 136958340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).