2-[(4-fluoro-1-methylpyrrolidin-3-yl)methyl-methylamino]acetic acid

C9H17FN2O2 — CID 155049752

IUPAC2-[(4-fluoro-1-methylpyrrolidin-3-yl)methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)CC1CN(C)CC1F
InChIInChI=1S/C9H17FN2O2/c1-11-3-7(8(10)5-11)4-12(2)6-9(13)14/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKeyTXLLAGMIWORMDR-UHFFFAOYSA-N
MW204.24 g/mol
LogP-0.10
Rot. Bonds4

About 2-[(4-fluoro-1-methylpyrrolidin-3-yl)methyl-methylamino]acetic acid

2-[(4-fluoro-1-methylpyrrolidin-3-yl)methyl-methylamino]acetic acid (PubChem CID 155049752) has the molecular formula C9H17FN2O2 and a molecular weight of 204.24 g/mol. Its IUPAC name is 2-[(4-fluoro-1-methylpyrrolidin-3-yl)methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-fluoro-1-methylpyrrolidin-3-yl)methyl-methylamino]acetic acid
PubChem CID155049752
Molecular FormulaC9H17FN2O2
Molecular Weight204.24 g/mol
Exact Mass204.13
IUPAC Name2-[(4-fluoro-1-methylpyrrolidin-3-yl)methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)CC1CN(C)CC1F
InChIInChI=1S/C9H17FN2O2/c1-11-3-7(8(10)5-11)4-12(2)6-9(13)14/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKeyTXLLAGMIWORMDR-UHFFFAOYSA-N
XLogP-0.10
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluoro-1-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine
CID 130204302
2-[methyl-[[(3S)-1-methylpyrrolidin-3-yl]methyl]amino]acetic acid
CID 96639224
[(3S,4R)-4-fluoro-1-methylpyrrolidin-3-yl]methanol
CID 147748171
2-[2-(4,7-dimethyl-1,4,7-triazonan-1-yl)ethyl-methylamino]acetic acid
CID 178078829
(3S,4S)-3,4-difluoro-1-methylpyrrolidine
CID 70308023
2-[[(5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-methylamino]acetic acid
CID 118517285
2-[fluoromethyl(methyl)amino]acetic acid
CID 87673073
2-[(5,5-difluoro-1-propan-2-ylpiperidin-2-yl)methyl-methylamino]acetic acid
CID 139341669
2-(4-fluoro-1-methylpiperidin-3-yl)acetic acid
CID 84766894
2-[(1-tert-butyl-5,5-difluoropiperidin-3-yl)methyl-methylamino]acetic acid
CID 162475430
2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]-propylamino]acetic acid
CID 63235476
2-[[4-(3,3-dimethylbutyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043734

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-1-methylpyrrolidin-3-yl)methyl-methylamino]acetic acid?
The IUPAC name of 2-[(4-fluoro-1-methylpyrrolidin-3-yl)methyl-methylamino]acetic acid (CID 155049752) is 2-[(4-fluoro-1-methylpyrrolidin-3-yl)methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(4-fluoro-1-methylpyrrolidin-3-yl)methyl-methylamino]acetic acid?
The canonical SMILES for 2-[(4-fluoro-1-methylpyrrolidin-3-yl)methyl-methylamino]acetic acid is CN(CC(=O)O)CC1CN(C)CC1F.
What is the InChIKey of 2-[(4-fluoro-1-methylpyrrolidin-3-yl)methyl-methylamino]acetic acid?
The InChIKey is TXLLAGMIWORMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O2/c1-11-3-7(8(10)5-11)4-12(2)6-9(13)14/h7-8H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 2-[(4-fluoro-1-methylpyrrolidin-3-yl)methyl-methylamino]acetic acid?
2-[(4-fluoro-1-methylpyrrolidin-3-yl)methyl-methylamino]acetic acid has a molecular weight of 204.24 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-1-methylpyrrolidin-3-yl)methyl-methylamino]acetic acid is sourced from PubChem (CID 155049752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).