2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]acetic acid

C10H12FN3O2 — CID 104605883

IUPAC2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1c1ncc(F)cn1
InChIInChI=1S/C10H12FN3O2/c11-7-5-12-10(13-6-7)14-3-1-2-8(14)4-9(15)16/h5-6,8H,1-4H2,(H,15,16)
InChIKeyRWPOFIXLMPKSOV-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.06
Rot. Bonds3

About 2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]acetic acid

2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]acetic acid (PubChem CID 104605883) has the molecular formula C10H12FN3O2 and a molecular weight of 225.22 g/mol. Its IUPAC name is 2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]acetic acid
PubChem CID104605883
Molecular FormulaC10H12FN3O2
Molecular Weight225.22 g/mol
Exact Mass225.09
IUPAC Name2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1c1ncc(F)cn1
InChIInChI=1S/C10H12FN3O2/c11-7-5-12-10(13-6-7)14-3-1-2-8(14)4-9(15)16/h5-6,8H,1-4H2,(H,15,16)
InChIKeyRWPOFIXLMPKSOV-UHFFFAOYSA-N
XLogP1.06
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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CID 104605839

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]acetic acid (CID 104605883) is 2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]acetic acid is O=C(O)CC1CCCN1c1ncc(F)cn1.
What is the InChIKey of 2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]acetic acid?
The InChIKey is RWPOFIXLMPKSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O2/c11-7-5-12-10(13-6-7)14-3-1-2-8(14)4-9(15)16/h5-6,8H,1-4H2,(H,15,16).
What are the key properties of 2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]acetic acid?
2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]acetic acid has a molecular weight of 225.22 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 104605883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).