2-[(4,4-difluoropyrrolidin-2-yl)methyl-methylamino]acetic acid

C8H14F2N2O2 — CID 166828229

IUPAC2-[(4,4-difluoropyrrolidin-2-yl)methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)CC1CC(F)(F)CN1
InChIInChI=1S/C8H14F2N2O2/c1-12(4-7(13)14)3-6-2-8(9,10)5-11-6/h6,11H,2-5H2,1H3,(H,13,14)
InChIKeyLLCIDTUWKJUKPJ-UHFFFAOYSA-N
MW208.21 g/mol
LogP0.00
Rot. Bonds4

About 2-[(4,4-difluoropyrrolidin-2-yl)methyl-methylamino]acetic acid

2-[(4,4-difluoropyrrolidin-2-yl)methyl-methylamino]acetic acid (PubChem CID 166828229) has the molecular formula C8H14F2N2O2 and a molecular weight of 208.21 g/mol. Its IUPAC name is 2-[(4,4-difluoropyrrolidin-2-yl)methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(4,4-difluoropyrrolidin-2-yl)methyl-methylamino]acetic acid
PubChem CID166828229
Molecular FormulaC8H14F2N2O2
Molecular Weight208.21 g/mol
Exact Mass208.10
IUPAC Name2-[(4,4-difluoropyrrolidin-2-yl)methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)CC1CC(F)(F)CN1
InChIInChI=1S/C8H14F2N2O2/c1-12(4-7(13)14)3-6-2-8(9,10)5-11-6/h6,11H,2-5H2,1H3,(H,13,14)
InChIKeyLLCIDTUWKJUKPJ-UHFFFAOYSA-N
XLogP0.00
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-difluoropyrrolidin-2-yl)methyl-methylamino]acetic acid?
The IUPAC name of 2-[(4,4-difluoropyrrolidin-2-yl)methyl-methylamino]acetic acid (CID 166828229) is 2-[(4,4-difluoropyrrolidin-2-yl)methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(4,4-difluoropyrrolidin-2-yl)methyl-methylamino]acetic acid?
The canonical SMILES for 2-[(4,4-difluoropyrrolidin-2-yl)methyl-methylamino]acetic acid is CN(CC(=O)O)CC1CC(F)(F)CN1.
What is the InChIKey of 2-[(4,4-difluoropyrrolidin-2-yl)methyl-methylamino]acetic acid?
The InChIKey is LLCIDTUWKJUKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O2/c1-12(4-7(13)14)3-6-2-8(9,10)5-11-6/h6,11H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-[(4,4-difluoropyrrolidin-2-yl)methyl-methylamino]acetic acid?
2-[(4,4-difluoropyrrolidin-2-yl)methyl-methylamino]acetic acid has a molecular weight of 208.21 g/mol, XLogP of 0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-difluoropyrrolidin-2-yl)methyl-methylamino]acetic acid is sourced from PubChem (CID 166828229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).