2-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]acetic acid

C12H17N3O3 — CID 66318775

IUPAC2-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]acetic acid
SMILESCCOc1cc(N2CCCC2CC(=O)O)ncn1
InChIInChI=1S/C12H17N3O3/c1-2-18-11-7-10(13-8-14-11)15-5-3-4-9(15)6-12(16)17/h7-9H,2-6H2,1H3,(H,16,17)
InChIKeyZBLJMPIHERYWRX-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.32
Rot. Bonds5

About 2-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]acetic acid

2-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]acetic acid (PubChem CID 66318775) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]acetic acid
PubChem CID66318775
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]acetic acid
SMILESCCOc1cc(N2CCCC2CC(=O)O)ncn1
InChIInChI=1S/C12H17N3O3/c1-2-18-11-7-10(13-8-14-11)15-5-3-4-9(15)6-12(16)17/h7-9H,2-6H2,1H3,(H,16,17)
InChIKeyZBLJMPIHERYWRX-UHFFFAOYSA-N
XLogP1.32
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]acetic acid (CID 66318775) is 2-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]acetic acid is CCOc1cc(N2CCCC2CC(=O)O)ncn1.
What is the InChIKey of 2-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]acetic acid?
The InChIKey is ZBLJMPIHERYWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-2-18-11-7-10(13-8-14-11)15-5-3-4-9(15)6-12(16)17/h7-9H,2-6H2,1H3,(H,16,17).
What are the key properties of 2-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]acetic acid?
2-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]acetic acid has a molecular weight of 251.29 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 66318775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).