2-[4-(oxolan-3-yl)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]acetic acid

C12H14N2O4 — CID 82382853

IUPAC2-[4-(oxolan-3-yl)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]acetic acid
SMILESO=C(O)Cc1nc2c(c(C3CCOC3)n1)CCO2
InChIInChI=1S/C12H14N2O4/c15-10(16)5-9-13-11(7-1-3-17-6-7)8-2-4-18-12(8)14-9/h7H,1-6H2,(H,15,16)
InChIKeyCNONOKGPLGNXOM-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.54
Rot. Bonds3

About 2-[4-(oxolan-3-yl)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]acetic acid

2-[4-(oxolan-3-yl)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]acetic acid (PubChem CID 82382853) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-[4-(oxolan-3-yl)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(oxolan-3-yl)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]acetic acid
PubChem CID82382853
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name2-[4-(oxolan-3-yl)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]acetic acid
SMILESO=C(O)Cc1nc2c(c(C3CCOC3)n1)CCO2
InChIInChI=1S/C12H14N2O4/c15-10(16)5-9-13-11(7-1-3-17-6-7)8-2-4-18-12(8)14-9/h7H,1-6H2,(H,15,16)
InChIKeyCNONOKGPLGNXOM-UHFFFAOYSA-N
XLogP0.54
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxolan-3-yl)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]acetic acid?
The IUPAC name of 2-[4-(oxolan-3-yl)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]acetic acid (CID 82382853) is 2-[4-(oxolan-3-yl)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(oxolan-3-yl)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(oxolan-3-yl)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]acetic acid is O=C(O)Cc1nc2c(c(C3CCOC3)n1)CCO2.
What is the InChIKey of 2-[4-(oxolan-3-yl)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]acetic acid?
The InChIKey is CNONOKGPLGNXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c15-10(16)5-9-13-11(7-1-3-17-6-7)8-2-4-18-12(8)14-9/h7H,1-6H2,(H,15,16).
What are the key properties of 2-[4-(oxolan-3-yl)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]acetic acid?
2-[4-(oxolan-3-yl)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]acetic acid has a molecular weight of 250.25 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxolan-3-yl)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]acetic acid is sourced from PubChem (CID 82382853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).