2-[(2,2-difluoro-1-methylcyclopropanecarbonyl)-methylamino]acetic acid

C8H11F2NO3 — CID 122107116

IUPAC2-[(2,2-difluoro-1-methylcyclopropanecarbonyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)C1(C)CC1(F)F
InChIInChI=1S/C8H11F2NO3/c1-7(4-8(7,9)10)6(14)11(2)3-5(12)13/h3-4H2,1-2H3,(H,12,13)
InChIKeyABTRQFCWWOBJFQ-UHFFFAOYSA-N
MW207.18 g/mol
LogP0.57
Rot. Bonds3

About 2-[(2,2-difluoro-1-methylcyclopropanecarbonyl)-methylamino]acetic acid

2-[(2,2-difluoro-1-methylcyclopropanecarbonyl)-methylamino]acetic acid (PubChem CID 122107116) has the molecular formula C8H11F2NO3 and a molecular weight of 207.18 g/mol. Its IUPAC name is 2-[(2,2-difluoro-1-methylcyclopropanecarbonyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2,2-difluoro-1-methylcyclopropanecarbonyl)-methylamino]acetic acid
PubChem CID122107116
Molecular FormulaC8H11F2NO3
Molecular Weight207.18 g/mol
Exact Mass207.07
IUPAC Name2-[(2,2-difluoro-1-methylcyclopropanecarbonyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)C1(C)CC1(F)F
InChIInChI=1S/C8H11F2NO3/c1-7(4-8(7,9)10)6(14)11(2)3-5(12)13/h3-4H2,1-2H3,(H,12,13)
InChIKeyABTRQFCWWOBJFQ-UHFFFAOYSA-N
XLogP0.57
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.18
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2,2-difluoro-1-methylcyclopropanecarbonyl)-methylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-difluoro-1-methylcyclopropanecarbonyl)-methylamino]acetic acid?
The IUPAC name of 2-[(2,2-difluoro-1-methylcyclopropanecarbonyl)-methylamino]acetic acid (CID 122107116) is 2-[(2,2-difluoro-1-methylcyclopropanecarbonyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(2,2-difluoro-1-methylcyclopropanecarbonyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(2,2-difluoro-1-methylcyclopropanecarbonyl)-methylamino]acetic acid is CN(CC(=O)O)C(=O)C1(C)CC1(F)F.
What is the InChIKey of 2-[(2,2-difluoro-1-methylcyclopropanecarbonyl)-methylamino]acetic acid?
The InChIKey is ABTRQFCWWOBJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO3/c1-7(4-8(7,9)10)6(14)11(2)3-5(12)13/h3-4H2,1-2H3,(H,12,13).
What are the key properties of 2-[(2,2-difluoro-1-methylcyclopropanecarbonyl)-methylamino]acetic acid?
2-[(2,2-difluoro-1-methylcyclopropanecarbonyl)-methylamino]acetic acid has a molecular weight of 207.18 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-difluoro-1-methylcyclopropanecarbonyl)-methylamino]acetic acid is sourced from PubChem (CID 122107116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).