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

C11H20F2N2O2 — CID 139341843

IUPAC2-[(4,4-difluoro-1-propan-2-ylpyrrolidin-2-yl)methyl-methylamino]acetic acid
SMILESCC(C)N1CC(F)(F)CC1CN(C)CC(=O)O
InChIInChI=1S/C11H20F2N2O2/c1-8(2)15-7-11(12,13)4-9(15)5-14(3)6-10(16)17/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeyPCVPFSHMVRYVOG-UHFFFAOYSA-N
MW250.29 g/mol
LogP1.12
Rot. Bonds5

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

2-[(4,4-difluoro-1-propan-2-ylpyrrolidin-2-yl)methyl-methylamino]acetic acid (PubChem CID 139341843) 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-2-yl)methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(4,4-difluoro-1-propan-2-ylpyrrolidin-2-yl)methyl-methylamino]acetic acid
PubChem CID139341843
Molecular FormulaC11H20F2N2O2
Molecular Weight250.29 g/mol
Exact Mass250.15
IUPAC Name2-[(4,4-difluoro-1-propan-2-ylpyrrolidin-2-yl)methyl-methylamino]acetic acid
SMILESCC(C)N1CC(F)(F)CC1CN(C)CC(=O)O
InChIInChI=1S/C11H20F2N2O2/c1-8(2)15-7-11(12,13)4-9(15)5-14(3)6-10(16)17/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeyPCVPFSHMVRYVOG-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
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-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-methylpyrrolidin-2-yl)methyl-methylamino]acetic acid
CID 155049739
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-propan-2-ylpyrrolidin-2-yl)methyl-methylamino]acetic acid?
The IUPAC name of 2-[(4,4-difluoro-1-propan-2-ylpyrrolidin-2-yl)methyl-methylamino]acetic acid (CID 139341843) is 2-[(4,4-difluoro-1-propan-2-ylpyrrolidin-2-yl)methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(4,4-difluoro-1-propan-2-ylpyrrolidin-2-yl)methyl-methylamino]acetic acid?
The canonical SMILES for 2-[(4,4-difluoro-1-propan-2-ylpyrrolidin-2-yl)methyl-methylamino]acetic acid is CC(C)N1CC(F)(F)CC1CN(C)CC(=O)O.
What is the InChIKey of 2-[(4,4-difluoro-1-propan-2-ylpyrrolidin-2-yl)methyl-methylamino]acetic acid?
The InChIKey is PCVPFSHMVRYVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O2/c1-8(2)15-7-11(12,13)4-9(15)5-14(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-2-yl)methyl-methylamino]acetic acid?
2-[(4,4-difluoro-1-propan-2-ylpyrrolidin-2-yl)methyl-methylamino]acetic acid has a molecular weight of 250.29 g/mol, XLogP of 1.12, 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-2-yl)methyl-methylamino]acetic acid is sourced from PubChem (CID 139341843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).