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

C11H21FN2O2 — CID 139341792

IUPAC2-[(4-fluoro-1-propan-2-ylpyrrolidin-3-yl)methyl-methylamino]acetic acid
SMILESCC(C)N1CC(F)C(CN(C)CC(=O)O)C1
InChIInChI=1S/C11H21FN2O2/c1-8(2)14-5-9(10(12)6-14)4-13(3)7-11(15)16/h8-10H,4-7H2,1-3H3,(H,15,16)
InChIKeyFEEVOVWQMOZDTI-UHFFFAOYSA-N
MW232.30 g/mol
LogP0.68
Rot. Bonds5

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

2-[(4-fluoro-1-propan-2-ylpyrrolidin-3-yl)methyl-methylamino]acetic acid (PubChem CID 139341792) has the molecular formula C11H21FN2O2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-[(4-fluoro-1-propan-2-ylpyrrolidin-3-yl)methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-fluoro-1-propan-2-ylpyrrolidin-3-yl)methyl-methylamino]acetic acid
PubChem CID139341792
Molecular FormulaC11H21FN2O2
Molecular Weight232.30 g/mol
Exact Mass232.16
IUPAC Name2-[(4-fluoro-1-propan-2-ylpyrrolidin-3-yl)methyl-methylamino]acetic acid
SMILESCC(C)N1CC(F)C(CN(C)CC(=O)O)C1
InChIInChI=1S/C11H21FN2O2/c1-8(2)14-5-9(10(12)6-14)4-13(3)7-11(15)16/h8-10H,4-7H2,1-3H3,(H,15,16)
InChIKeyFEEVOVWQMOZDTI-UHFFFAOYSA-N
XLogP0.68
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-Fluoro-3-methylpyrrolidin-1-yl)acetic acid
CID 115012634
2-[(4,4-Difluoro-1-propan-2-ylpyrrolidin-3-yl)methyl-methylamino]acetic acid
CID 134534021
2-[(1-Tert-butyl-4-fluoropyrrolidin-2-yl)methyl-methylamino]acetic acid
CID 153412224
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-Fluoro-1-methylpyrrolidin-3-yl)methyl-methylamino]acetic acid
CID 155049752
2-[(1-Propan-2-ylpyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266263
2-(3-Fluoro-3-methylpyrrolidin-1-yl)propanoic acid
CID 115014450
2-(3-Fluoro-3-methylpyrrolidin-1-yl)-2-methylpropanoic acid
CID 115017828
2-[3-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]propanoic acid
CID 119145578
2-[3-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]butanoic acid
CID 120488505

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-1-propan-2-ylpyrrolidin-3-yl)methyl-methylamino]acetic acid?
The IUPAC name of 2-[(4-fluoro-1-propan-2-ylpyrrolidin-3-yl)methyl-methylamino]acetic acid (CID 139341792) is 2-[(4-fluoro-1-propan-2-ylpyrrolidin-3-yl)methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(4-fluoro-1-propan-2-ylpyrrolidin-3-yl)methyl-methylamino]acetic acid?
The canonical SMILES for 2-[(4-fluoro-1-propan-2-ylpyrrolidin-3-yl)methyl-methylamino]acetic acid is CC(C)N1CC(F)C(CN(C)CC(=O)O)C1.
What is the InChIKey of 2-[(4-fluoro-1-propan-2-ylpyrrolidin-3-yl)methyl-methylamino]acetic acid?
The InChIKey is FEEVOVWQMOZDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2O2/c1-8(2)14-5-9(10(12)6-14)4-13(3)7-11(15)16/h8-10H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 2-[(4-fluoro-1-propan-2-ylpyrrolidin-3-yl)methyl-methylamino]acetic acid?
2-[(4-fluoro-1-propan-2-ylpyrrolidin-3-yl)methyl-methylamino]acetic acid has a molecular weight of 232.30 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-1-propan-2-ylpyrrolidin-3-yl)methyl-methylamino]acetic acid is sourced from PubChem (CID 139341792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).