3-[[6-(oxolan-2-yl)pyrimidin-4-yl]amino]propanoic acid

C11H15N3O3 — CID 126848795

IUPAC3-[[6-(oxolan-2-yl)pyrimidin-4-yl]amino]propanoic acid
SMILESO=C(O)CCNc1cc(C2CCCO2)ncn1
InChIInChI=1S/C11H15N3O3/c15-11(16)3-4-12-10-6-8(13-7-14-10)9-2-1-5-17-9/h6-7,9H,1-5H2,(H,15,16)(H,12,13,14)
InChIKeyOARCFOCLANFWFN-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.21
Rot. Bonds5

About 3-[[6-(oxolan-2-yl)pyrimidin-4-yl]amino]propanoic acid

3-[[6-(oxolan-2-yl)pyrimidin-4-yl]amino]propanoic acid (PubChem CID 126848795) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-[[6-(oxolan-2-yl)pyrimidin-4-yl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[6-(oxolan-2-yl)pyrimidin-4-yl]amino]propanoic acid
PubChem CID126848795
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-[[6-(oxolan-2-yl)pyrimidin-4-yl]amino]propanoic acid
SMILESO=C(O)CCNc1cc(C2CCCO2)ncn1
InChIInChI=1S/C11H15N3O3/c15-11(16)3-4-12-10-6-8(13-7-14-10)9-2-1-5-17-9/h6-7,9H,1-5H2,(H,15,16)(H,12,13,14)
InChIKeyOARCFOCLANFWFN-UHFFFAOYSA-N
XLogP1.21
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-(oxolan-2-yl)pyrimidin-4-yl]amino]propanoic acid?
The IUPAC name of 3-[[6-(oxolan-2-yl)pyrimidin-4-yl]amino]propanoic acid (CID 126848795) is 3-[[6-(oxolan-2-yl)pyrimidin-4-yl]amino]propanoic acid.
What is the SMILES notation for 3-[[6-(oxolan-2-yl)pyrimidin-4-yl]amino]propanoic acid?
The canonical SMILES for 3-[[6-(oxolan-2-yl)pyrimidin-4-yl]amino]propanoic acid is O=C(O)CCNc1cc(C2CCCO2)ncn1.
What is the InChIKey of 3-[[6-(oxolan-2-yl)pyrimidin-4-yl]amino]propanoic acid?
The InChIKey is OARCFOCLANFWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-11(16)3-4-12-10-6-8(13-7-14-10)9-2-1-5-17-9/h6-7,9H,1-5H2,(H,15,16)(H,12,13,14).
What are the key properties of 3-[[6-(oxolan-2-yl)pyrimidin-4-yl]amino]propanoic acid?
3-[[6-(oxolan-2-yl)pyrimidin-4-yl]amino]propanoic acid has a molecular weight of 237.26 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(oxolan-2-yl)pyrimidin-4-yl]amino]propanoic acid is sourced from PubChem (CID 126848795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).