2-[(3,3-difluorocyclobutanecarbonyl)-methylamino]acetic acid

C8H11F2NO3 — CID 119346107

IUPAC2-[(3,3-difluorocyclobutanecarbonyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)C1CC(F)(F)C1
InChIInChI=1S/C8H11F2NO3/c1-11(4-6(12)13)7(14)5-2-8(9,10)3-5/h5H,2-4H2,1H3,(H,12,13)
InChIKeyULFAMIBBXQULQE-UHFFFAOYSA-N
MW207.18 g/mol
LogP0.57
Rot. Bonds3

About 2-[(3,3-difluorocyclobutanecarbonyl)-methylamino]acetic acid

2-[(3,3-difluorocyclobutanecarbonyl)-methylamino]acetic acid (PubChem CID 119346107) has the molecular formula C8H11F2NO3 and a molecular weight of 207.18 g/mol. Its IUPAC name is 2-[(3,3-difluorocyclobutanecarbonyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(3,3-difluorocyclobutanecarbonyl)-methylamino]acetic acid
PubChem CID119346107
Molecular FormulaC8H11F2NO3
Molecular Weight207.18 g/mol
Exact Mass207.07
IUPAC Name2-[(3,3-difluorocyclobutanecarbonyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)C1CC(F)(F)C1
InChIInChI=1S/C8H11F2NO3/c1-11(4-6(12)13)7(14)5-2-8(9,10)3-5/h5H,2-4H2,1H3,(H,12,13)
InChIKeyULFAMIBBXQULQE-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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-difluorocyclobutanecarbonyl)-methylamino]acetic acid?
The IUPAC name of 2-[(3,3-difluorocyclobutanecarbonyl)-methylamino]acetic acid (CID 119346107) is 2-[(3,3-difluorocyclobutanecarbonyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(3,3-difluorocyclobutanecarbonyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(3,3-difluorocyclobutanecarbonyl)-methylamino]acetic acid is CN(CC(=O)O)C(=O)C1CC(F)(F)C1.
What is the InChIKey of 2-[(3,3-difluorocyclobutanecarbonyl)-methylamino]acetic acid?
The InChIKey is ULFAMIBBXQULQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO3/c1-11(4-6(12)13)7(14)5-2-8(9,10)3-5/h5H,2-4H2,1H3,(H,12,13).
What are the key properties of 2-[(3,3-difluorocyclobutanecarbonyl)-methylamino]acetic acid?
2-[(3,3-difluorocyclobutanecarbonyl)-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-[(3,3-difluorocyclobutanecarbonyl)-methylamino]acetic acid is sourced from PubChem (CID 119346107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).