1-(6-methoxypyrimidin-4-yl)pyrrolidine-3-carboxylic acid

C10H13N3O3 — CID 66320311

IUPAC1-(6-methoxypyrimidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCOc1cc(N2CCC(C(=O)O)C2)ncn1
InChIInChI=1S/C10H13N3O3/c1-16-9-4-8(11-6-12-9)13-3-2-7(5-13)10(14)15/h4,6-7H,2-3,5H2,1H3,(H,14,15)
InChIKeyGRCSGZFDNWMIRS-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.40
Rot. Bonds3

About 1-(6-methoxypyrimidin-4-yl)pyrrolidine-3-carboxylic acid

1-(6-methoxypyrimidin-4-yl)pyrrolidine-3-carboxylic acid (PubChem CID 66320311) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1-(6-methoxypyrimidin-4-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-methoxypyrimidin-4-yl)pyrrolidine-3-carboxylic acid
PubChem CID66320311
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name1-(6-methoxypyrimidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCOc1cc(N2CCC(C(=O)O)C2)ncn1
InChIInChI=1S/C10H13N3O3/c1-16-9-4-8(11-6-12-9)13-3-2-7(5-13)10(14)15/h4,6-7H,2-3,5H2,1H3,(H,14,15)
InChIKeyGRCSGZFDNWMIRS-UHFFFAOYSA-N
XLogP0.40
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(6-methoxypyrimidin-4-yl)pyrrolidine-3-carboxylic acid (CID 66320311) is 1-(6-methoxypyrimidin-4-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-methoxypyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(6-methoxypyrimidin-4-yl)pyrrolidine-3-carboxylic acid is COc1cc(N2CCC(C(=O)O)C2)ncn1.
What is the InChIKey of 1-(6-methoxypyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is GRCSGZFDNWMIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-16-9-4-8(11-6-12-9)13-3-2-7(5-13)10(14)15/h4,6-7H,2-3,5H2,1H3,(H,14,15).
What are the key properties of 1-(6-methoxypyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
1-(6-methoxypyrimidin-4-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyrimidin-4-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 66320311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).