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

C10H13N3O5 — CID 137015727

IUPAC4-hydroxy-1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESCOc1c(N2CC(O)CC2C(=O)O)nc[nH]c1=O
InChIInChI=1S/C10H13N3O5/c1-18-7-8(11-4-12-9(7)15)13-3-5(14)2-6(13)10(16)17/h4-6,14H,2-3H2,1H3,(H,16,17)(H,11,12,15)
InChIKeyMGXRKEWPQBBIOM-UHFFFAOYSA-N
MW255.23 g/mol
LogP-1.20
Rot. Bonds3

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

4-hydroxy-1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid (PubChem CID 137015727) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is 4-hydroxy-1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
PubChem CID137015727
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name4-hydroxy-1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESCOc1c(N2CC(O)CC2C(=O)O)nc[nH]c1=O
InChIInChI=1S/C10H13N3O5/c1-18-7-8(11-4-12-9(7)15)13-3-5(14)2-6(13)10(16)17/h4-6,14H,2-3H2,1H3,(H,16,17)(H,11,12,15)
InChIKeyMGXRKEWPQBBIOM-UHFFFAOYSA-N
XLogP-1.20
TPSA115.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid (CID 137015727) is 4-hydroxy-1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid is COc1c(N2CC(O)CC2C(=O)O)nc[nH]c1=O.
What is the InChIKey of 4-hydroxy-1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is MGXRKEWPQBBIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-18-7-8(11-4-12-9(7)15)13-3-5(14)2-6(13)10(16)17/h4-6,14H,2-3H2,1H3,(H,16,17)(H,11,12,15).
What are the key properties of 4-hydroxy-1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
4-hydroxy-1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 255.23 g/mol, XLogP of -1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 137015727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).