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

C9H17FN2O2 — CID 139341845

IUPAC2-[(4-fluoro-1-methylpyrrolidin-2-yl)methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)CC1CC(F)CN1C
InChIInChI=1S/C9H17FN2O2/c1-11(6-9(13)14)5-8-3-7(10)4-12(8)2/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKeyCZSBJBASWBUOSQ-UHFFFAOYSA-N
MW204.24 g/mol
LogP0.05
Rot. Bonds4

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

2-[(4-fluoro-1-methylpyrrolidin-2-yl)methyl-methylamino]acetic acid (PubChem CID 139341845) has the molecular formula C9H17FN2O2 and a molecular weight of 204.24 g/mol. Its IUPAC name is 2-[(4-fluoro-1-methylpyrrolidin-2-yl)methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-fluoro-1-methylpyrrolidin-2-yl)methyl-methylamino]acetic acid
PubChem CID139341845
Molecular FormulaC9H17FN2O2
Molecular Weight204.24 g/mol
Exact Mass204.13
IUPAC Name2-[(4-fluoro-1-methylpyrrolidin-2-yl)methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)CC1CC(F)CN1C
InChIInChI=1S/C9H17FN2O2/c1-11(6-9(13)14)5-8-3-7(10)4-12(8)2/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKeyCZSBJBASWBUOSQ-UHFFFAOYSA-N
XLogP0.05
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 ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-Dimethyl-1-pyrrolidineacetic acid
CID 21332271
2-(2-Methylpyrrolidin-1-yl)acetic acid
CID 54594852
2-[4-[[(4S)-4-fluoro-1-propanoylpyrrolidin-2-yl]methyl]piperazin-1-yl]acetic acid
CID 71207211
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-fluoropyrrolidin-2-yl)methyl-methylamino]acetic acid
CID 153412224
2-[(5-Fluoro-1-propan-2-ylpiperidin-2-yl)methyl-methylamino]acetic acid
CID 153412245
2-[(4,4-Difluoro-1-methylpyrrolidin-2-yl)methyl-methylamino]acetic acid
CID 155049739
2-[(4,4-Difluoropyrrolidin-2-yl)methyl-methylamino]acetic acid
CID 166828229
2-[(1-Ethyl-5-fluoropiperidin-2-yl)methyl-methylamino]acetic acid
CID 166828238
2-[(3-Fluoropyrrolidin-2-yl)methyl-methylamino]acetic acid
CID 172334260
2-[(4-Fluoropyrrolidin-2-yl)methyl-methylamino]acetic acid
CID 172334626

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-1-methylpyrrolidin-2-yl)methyl-methylamino]acetic acid?
The IUPAC name of 2-[(4-fluoro-1-methylpyrrolidin-2-yl)methyl-methylamino]acetic acid (CID 139341845) is 2-[(4-fluoro-1-methylpyrrolidin-2-yl)methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(4-fluoro-1-methylpyrrolidin-2-yl)methyl-methylamino]acetic acid?
The canonical SMILES for 2-[(4-fluoro-1-methylpyrrolidin-2-yl)methyl-methylamino]acetic acid is CN(CC(=O)O)CC1CC(F)CN1C.
What is the InChIKey of 2-[(4-fluoro-1-methylpyrrolidin-2-yl)methyl-methylamino]acetic acid?
The InChIKey is CZSBJBASWBUOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O2/c1-11(6-9(13)14)5-8-3-7(10)4-12(8)2/h7-8H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 2-[(4-fluoro-1-methylpyrrolidin-2-yl)methyl-methylamino]acetic acid?
2-[(4-fluoro-1-methylpyrrolidin-2-yl)methyl-methylamino]acetic acid has a molecular weight of 204.24 g/mol, XLogP of 0.05, 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-2-yl)methyl-methylamino]acetic acid is sourced from PubChem (CID 139341845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).