2-[(4,4-difluoro-1-methylpyrrolidin-2-yl)methyl-methylamino]acetic acid

C9H16F2N2O2 — CID 155049739

IUPAC2-[(4,4-difluoro-1-methylpyrrolidin-2-yl)methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)CC1CC(F)(F)CN1C
InChIInChI=1S/C9H16F2N2O2/c1-12(5-8(14)15)4-7-3-9(10,11)6-13(7)2/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyBIFQYAHHEAOZBW-UHFFFAOYSA-N
MW222.23 g/mol
LogP0.34
Rot. Bonds4

About 2-[(4,4-difluoro-1-methylpyrrolidin-2-yl)methyl-methylamino]acetic acid

2-[(4,4-difluoro-1-methylpyrrolidin-2-yl)methyl-methylamino]acetic acid (PubChem CID 155049739) has the molecular formula C9H16F2N2O2 and a molecular weight of 222.23 g/mol. Its IUPAC name is 2-[(4,4-difluoro-1-methylpyrrolidin-2-yl)methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(4,4-difluoro-1-methylpyrrolidin-2-yl)methyl-methylamino]acetic acid
PubChem CID155049739
Molecular FormulaC9H16F2N2O2
Molecular Weight222.23 g/mol
Exact Mass222.12
IUPAC Name2-[(4,4-difluoro-1-methylpyrrolidin-2-yl)methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)CC1CC(F)(F)CN1C
InChIInChI=1S/C9H16F2N2O2/c1-12(5-8(14)15)4-7-3-9(10,11)6-13(7)2/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyBIFQYAHHEAOZBW-UHFFFAOYSA-N
XLogP0.34
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4,4-Difluoro-1-propan-2-ylpyrrolidin-3-yl)methyl-methylamino]acetic acid
CID 134534021
2-[(5,5-Difluoro-1-propan-2-ylpiperidin-2-yl)methyl-methylamino]acetic acid
CID 139341669
2-[(4,4-Difluoro-1-propan-2-ylpyrrolidin-2-yl)methyl-methylamino]acetic acid
CID 139341843
2-[(4-Fluoro-1-methylpyrrolidin-2-yl)methyl-methylamino]acetic acid
CID 139341845
2-[(5,5-Difluoro-1-propylpiperidin-2-yl)methyl-methylamino]acetic acid
CID 142350448
2-[(1-Tert-butyl-4,4-difluoropyrrolidin-2-yl)methyl-methylamino]acetic acid
CID 153412195
2-[(1-Tert-butyl-4-fluoropyrrolidin-2-yl)methyl-methylamino]acetic acid
CID 153412224
2-[[4,4-Difluoro-1-(methylamino)pyrrolidin-2-yl]methyl-methylamino]acetic acid
CID 155049750
2-[(4,4-Difluoropyrrolidin-2-yl)methyl-methylamino]acetic acid
CID 166828229
2-[(3-Fluoropyrrolidin-2-yl)methyl-methylamino]acetic acid
CID 172334260
2-[Ethyl-[[3-(trifluoromethyl)pyrrolidin-2-yl]methyl]amino]acetic acid
CID 172334499
2-[(4-Fluoropyrrolidin-2-yl)methyl-methylamino]acetic acid
CID 172334626

Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-difluoro-1-methylpyrrolidin-2-yl)methyl-methylamino]acetic acid?
The IUPAC name of 2-[(4,4-difluoro-1-methylpyrrolidin-2-yl)methyl-methylamino]acetic acid (CID 155049739) is 2-[(4,4-difluoro-1-methylpyrrolidin-2-yl)methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(4,4-difluoro-1-methylpyrrolidin-2-yl)methyl-methylamino]acetic acid?
The canonical SMILES for 2-[(4,4-difluoro-1-methylpyrrolidin-2-yl)methyl-methylamino]acetic acid is CN(CC(=O)O)CC1CC(F)(F)CN1C.
What is the InChIKey of 2-[(4,4-difluoro-1-methylpyrrolidin-2-yl)methyl-methylamino]acetic acid?
The InChIKey is BIFQYAHHEAOZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O2/c1-12(5-8(14)15)4-7-3-9(10,11)6-13(7)2/h7H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 2-[(4,4-difluoro-1-methylpyrrolidin-2-yl)methyl-methylamino]acetic acid?
2-[(4,4-difluoro-1-methylpyrrolidin-2-yl)methyl-methylamino]acetic acid has a molecular weight of 222.23 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-difluoro-1-methylpyrrolidin-2-yl)methyl-methylamino]acetic acid is sourced from PubChem (CID 155049739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).