2-[(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)methyl-methylamino]acetic acid

C11H20F2N2O2 — CID 134534021

IUPAC2-[(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)methyl-methylamino]acetic acid
SMILESCC(C)N1CC(CN(C)CC(=O)O)C(F)(F)C1
InChIInChI=1S/C11H20F2N2O2/c1-8(2)15-5-9(11(12,13)7-15)4-14(3)6-10(16)17/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeyFLGCAKRLXVSIPX-UHFFFAOYSA-N
MW250.29 g/mol
LogP0.98
Rot. Bonds5

About 2-[(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)methyl-methylamino]acetic acid

2-[(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)methyl-methylamino]acetic acid (PubChem CID 134534021) has the molecular formula C11H20F2N2O2 and a molecular weight of 250.29 g/mol. Its IUPAC name is 2-[(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)methyl-methylamino]acetic acid
PubChem CID134534021
Molecular FormulaC11H20F2N2O2
Molecular Weight250.29 g/mol
Exact Mass250.15
IUPAC Name2-[(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)methyl-methylamino]acetic acid
SMILESCC(C)N1CC(CN(C)CC(=O)O)C(F)(F)C1
InChIInChI=1S/C11H20F2N2O2/c1-8(2)15-5-9(11(12,13)7-15)4-14(3)6-10(16)17/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeyFLGCAKRLXVSIPX-UHFFFAOYSA-N
XLogP0.98
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]acetic acid
CID 129322031
2-[(4-Fluoro-1-propan-2-ylpyrrolidin-3-yl)methyl-methylamino]acetic acid
CID 139341792
2-[(4,4-Difluoro-1-propan-2-ylpyrrolidin-2-yl)methyl-methylamino]acetic acid
CID 139341843
2-[(1-Tert-butyl-4,4-difluoropyrrolidin-2-yl)methyl-methylamino]acetic acid
CID 153412195
2-[(1-Tert-butyl-4,4-difluoropyrrolidin-3-yl)methyl-methylamino]acetic acid
CID 153412235
2-[(1-Tert-butyl-4-fluoropyrrolidin-3-yl)methyl-methylamino]acetic acid
CID 153412246
2-[(4,4-Difluoro-1-methylpyrrolidin-3-yl)methyl-methylamino]acetic acid
CID 154964361
2-[(4,4-Difluoro-1-methylpyrrolidin-2-yl)methyl-methylamino]acetic acid
CID 155049739
2-[(4-Fluoro-1-methylpyrrolidin-3-yl)methyl-methylamino]acetic acid
CID 155049752
2-[[1-(2,2,2-Trifluoroethyl)pyrrolidin-3-yl]methylamino]propanoic acid
CID 66174538
2-[3-Methylbutyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257682
2-[2-Methylbutyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257693

Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)methyl-methylamino]acetic acid?
The IUPAC name of 2-[(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)methyl-methylamino]acetic acid (CID 134534021) is 2-[(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)methyl-methylamino]acetic acid?
The canonical SMILES for 2-[(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)methyl-methylamino]acetic acid is CC(C)N1CC(CN(C)CC(=O)O)C(F)(F)C1.
What is the InChIKey of 2-[(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)methyl-methylamino]acetic acid?
The InChIKey is FLGCAKRLXVSIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O2/c1-8(2)15-5-9(11(12,13)7-15)4-14(3)6-10(16)17/h8-9H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 2-[(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)methyl-methylamino]acetic acid?
2-[(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)methyl-methylamino]acetic acid has a molecular weight of 250.29 g/mol, XLogP of 0.98, 5 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-propan-2-ylpyrrolidin-3-yl)methyl-methylamino]acetic acid is sourced from PubChem (CID 134534021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).