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

C10H14N4O4 — CID 136958389

IUPAC1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methoxypyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(c2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C10H14N4O4/c1-18-5-2-6(10(16)17)14(3-5)8-7(11)9(15)13-4-12-8/h4-6H,2-3,11H2,1H3,(H,16,17)(H,12,13,15)
InChIKeyCTASPPFZPCVTDO-UHFFFAOYSA-N
MW254.25 g/mol
LogP-0.97
Rot. Bonds3

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

1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methoxypyrrolidine-2-carboxylic acid (PubChem CID 136958389) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methoxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methoxypyrrolidine-2-carboxylic acid
PubChem CID136958389
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methoxypyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(c2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C10H14N4O4/c1-18-5-2-6(10(16)17)14(3-5)8-7(11)9(15)13-4-12-8/h4-6H,2-3,11H2,1H3,(H,16,17)(H,12,13,15)
InChIKeyCTASPPFZPCVTDO-UHFFFAOYSA-N
XLogP-0.97
TPSA121.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
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
1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 136958319
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 136958340
4-hydroxy-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 136958341
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
methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate
CID 137007533
ethyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate
CID 137007603
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-methoxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methoxypyrrolidine-2-carboxylic acid (CID 136958389) is 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methoxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methoxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methoxypyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(c2nc[nH]c(=O)c2N)C1.
What is the InChIKey of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methoxypyrrolidine-2-carboxylic acid?
The InChIKey is CTASPPFZPCVTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-18-5-2-6(10(16)17)14(3-5)8-7(11)9(15)13-4-12-8/h4-6H,2-3,11H2,1H3,(H,16,17)(H,12,13,15).
What are the key properties of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methoxypyrrolidine-2-carboxylic acid?
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methoxypyrrolidine-2-carboxylic acid has a molecular weight of 254.25 g/mol, XLogP of -0.97, 3 rotatable bonds, 3 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-methoxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 136958389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).