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

C9H17F2N3O2 — CID 155049750

IUPAC2-[[4,4-difluoro-1-(methylamino)pyrrolidin-2-yl]methyl-methylamino]acetic acid
SMILESCNN1CC(F)(F)CC1CN(C)CC(=O)O
InChIInChI=1S/C9H17F2N3O2/c1-12-14-6-9(10,11)3-7(14)4-13(2)5-8(15)16/h7,12H,3-6H2,1-2H3,(H,15,16)
InChIKeyUUKYXBGODGUQSL-UHFFFAOYSA-N
MW237.25 g/mol
LogP-0.15
Rot. Bonds5

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

2-[[4,4-difluoro-1-(methylamino)pyrrolidin-2-yl]methyl-methylamino]acetic acid (PubChem CID 155049750) has the molecular formula C9H17F2N3O2 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-[[4,4-difluoro-1-(methylamino)pyrrolidin-2-yl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[4,4-difluoro-1-(methylamino)pyrrolidin-2-yl]methyl-methylamino]acetic acid
PubChem CID155049750
Molecular FormulaC9H17F2N3O2
Molecular Weight237.25 g/mol
Exact Mass237.13
IUPAC Name2-[[4,4-difluoro-1-(methylamino)pyrrolidin-2-yl]methyl-methylamino]acetic acid
SMILESCNN1CC(F)(F)CC1CN(C)CC(=O)O
InChIInChI=1S/C9H17F2N3O2/c1-12-14-6-9(10,11)3-7(14)4-13(2)5-8(15)16/h7,12H,3-6H2,1-2H3,(H,15,16)
InChIKeyUUKYXBGODGUQSL-UHFFFAOYSA-N
XLogP-0.15
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4,4-difluoro-1-(methylamino)pyrrolidin-2-yl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[4,4-difluoro-1-(methylamino)pyrrolidin-2-yl]methyl-methylamino]acetic acid (CID 155049750) is 2-[[4,4-difluoro-1-(methylamino)pyrrolidin-2-yl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[4,4-difluoro-1-(methylamino)pyrrolidin-2-yl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[4,4-difluoro-1-(methylamino)pyrrolidin-2-yl]methyl-methylamino]acetic acid is CNN1CC(F)(F)CC1CN(C)CC(=O)O.
What is the InChIKey of 2-[[4,4-difluoro-1-(methylamino)pyrrolidin-2-yl]methyl-methylamino]acetic acid?
The InChIKey is UUKYXBGODGUQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N3O2/c1-12-14-6-9(10,11)3-7(14)4-13(2)5-8(15)16/h7,12H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 2-[[4,4-difluoro-1-(methylamino)pyrrolidin-2-yl]methyl-methylamino]acetic acid?
2-[[4,4-difluoro-1-(methylamino)pyrrolidin-2-yl]methyl-methylamino]acetic acid has a molecular weight of 237.25 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,4-difluoro-1-(methylamino)pyrrolidin-2-yl]methyl-methylamino]acetic acid is sourced from PubChem (CID 155049750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).