2-[(4-fluoropyrimidin-2-yl)-methylamino]acetic acid

C7H8FN3O2 — CID 18689743

IUPAC2-[(4-fluoropyrimidin-2-yl)-methylamino]acetic acid
SMILESCN(CC(=O)O)c1nccc(F)n1
InChIInChI=1S/C7H8FN3O2/c1-11(4-6(12)13)7-9-3-2-5(8)10-7/h2-3H,4H2,1H3,(H,12,13)
InChIKeyMVNRLFIZRACWGH-UHFFFAOYSA-N
MW185.16 g/mol
LogP0.14
Rot. Bonds3

About 2-[(4-fluoropyrimidin-2-yl)-methylamino]acetic acid

2-[(4-fluoropyrimidin-2-yl)-methylamino]acetic acid (PubChem CID 18689743) has the molecular formula C7H8FN3O2 and a molecular weight of 185.16 g/mol. Its IUPAC name is 2-[(4-fluoropyrimidin-2-yl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-fluoropyrimidin-2-yl)-methylamino]acetic acid
PubChem CID18689743
Molecular FormulaC7H8FN3O2
Molecular Weight185.16 g/mol
Exact Mass185.06
IUPAC Name2-[(4-fluoropyrimidin-2-yl)-methylamino]acetic acid
SMILESCN(CC(=O)O)c1nccc(F)n1
InChIInChI=1S/C7H8FN3O2/c1-11(4-6(12)13)7-9-3-2-5(8)10-7/h2-3H,4H2,1H3,(H,12,13)
InChIKeyMVNRLFIZRACWGH-UHFFFAOYSA-N
XLogP0.14
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.16
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoropyrimidin-2-yl)-methylamino]acetic acid?
The IUPAC name of 2-[(4-fluoropyrimidin-2-yl)-methylamino]acetic acid (CID 18689743) is 2-[(4-fluoropyrimidin-2-yl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(4-fluoropyrimidin-2-yl)-methylamino]acetic acid?
The canonical SMILES for 2-[(4-fluoropyrimidin-2-yl)-methylamino]acetic acid is CN(CC(=O)O)c1nccc(F)n1.
What is the InChIKey of 2-[(4-fluoropyrimidin-2-yl)-methylamino]acetic acid?
The InChIKey is MVNRLFIZRACWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3O2/c1-11(4-6(12)13)7-9-3-2-5(8)10-7/h2-3H,4H2,1H3,(H,12,13).
What are the key properties of 2-[(4-fluoropyrimidin-2-yl)-methylamino]acetic acid?
2-[(4-fluoropyrimidin-2-yl)-methylamino]acetic acid has a molecular weight of 185.16 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoropyrimidin-2-yl)-methylamino]acetic acid is sourced from PubChem (CID 18689743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).