2-pyrimidin-5-yl-3-pyrrolidin-3-ylpropanoic acid

C11H15N3O2 — CID 129285768

IUPAC2-pyrimidin-5-yl-3-pyrrolidin-3-ylpropanoic acid
SMILESO=C(O)C(CC1CCNC1)c1cncnc1
InChIInChI=1S/C11H15N3O2/c15-11(16)10(3-8-1-2-12-4-8)9-5-13-7-14-6-9/h5-8,10,12H,1-4H2,(H,15,16)
InChIKeyVZVDKCMPABCFDI-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.64
Rot. Bonds4

About 2-pyrimidin-5-yl-3-pyrrolidin-3-ylpropanoic acid

2-pyrimidin-5-yl-3-pyrrolidin-3-ylpropanoic acid (PubChem CID 129285768) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-pyrimidin-5-yl-3-pyrrolidin-3-ylpropanoic acid.

Molecular Properties

Compound Name2-pyrimidin-5-yl-3-pyrrolidin-3-ylpropanoic acid
PubChem CID129285768
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-pyrimidin-5-yl-3-pyrrolidin-3-ylpropanoic acid
SMILESO=C(O)C(CC1CCNC1)c1cncnc1
InChIInChI=1S/C11H15N3O2/c15-11(16)10(3-8-1-2-12-4-8)9-5-13-7-14-6-9/h5-8,10,12H,1-4H2,(H,15,16)
InChIKeyVZVDKCMPABCFDI-UHFFFAOYSA-N
XLogP0.64
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-5-yl-3-pyrrolidin-3-ylpropanoic acid?
The IUPAC name of 2-pyrimidin-5-yl-3-pyrrolidin-3-ylpropanoic acid (CID 129285768) is 2-pyrimidin-5-yl-3-pyrrolidin-3-ylpropanoic acid.
What is the SMILES notation for 2-pyrimidin-5-yl-3-pyrrolidin-3-ylpropanoic acid?
The canonical SMILES for 2-pyrimidin-5-yl-3-pyrrolidin-3-ylpropanoic acid is O=C(O)C(CC1CCNC1)c1cncnc1.
What is the InChIKey of 2-pyrimidin-5-yl-3-pyrrolidin-3-ylpropanoic acid?
The InChIKey is VZVDKCMPABCFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c15-11(16)10(3-8-1-2-12-4-8)9-5-13-7-14-6-9/h5-8,10,12H,1-4H2,(H,15,16).
What are the key properties of 2-pyrimidin-5-yl-3-pyrrolidin-3-ylpropanoic acid?
2-pyrimidin-5-yl-3-pyrrolidin-3-ylpropanoic acid has a molecular weight of 221.26 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-5-yl-3-pyrrolidin-3-ylpropanoic acid is sourced from PubChem (CID 129285768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).