3-[(1-ethylazetidin-3-yl)amino]-2,2-difluoropropanoic acid

C8H14F2N2O2 — CID 165466734

IUPAC3-[(1-ethylazetidin-3-yl)amino]-2,2-difluoropropanoic acid
SMILESCCN1CC(NCC(F)(F)C(=O)O)C1
InChIInChI=1S/C8H14F2N2O2/c1-2-12-3-6(4-12)11-5-8(9,10)7(13)14/h6,11H,2-5H2,1H3,(H,13,14)
InChIKeyQCXUBZPBICKDAU-UHFFFAOYSA-N
MW208.21 g/mol
LogP0.00
Rot. Bonds5

About 3-[(1-ethylazetidin-3-yl)amino]-2,2-difluoropropanoic acid

3-[(1-ethylazetidin-3-yl)amino]-2,2-difluoropropanoic acid (PubChem CID 165466734) has the molecular formula C8H14F2N2O2 and a molecular weight of 208.21 g/mol. Its IUPAC name is 3-[(1-ethylazetidin-3-yl)amino]-2,2-difluoropropanoic acid.

Molecular Properties

Compound Name3-[(1-ethylazetidin-3-yl)amino]-2,2-difluoropropanoic acid
PubChem CID165466734
Molecular FormulaC8H14F2N2O2
Molecular Weight208.21 g/mol
Exact Mass208.10
IUPAC Name3-[(1-ethylazetidin-3-yl)amino]-2,2-difluoropropanoic acid
SMILESCCN1CC(NCC(F)(F)C(=O)O)C1
InChIInChI=1S/C8H14F2N2O2/c1-2-12-3-6(4-12)11-5-8(9,10)7(13)14/h6,11H,2-5H2,1H3,(H,13,14)
InChIKeyQCXUBZPBICKDAU-UHFFFAOYSA-N
XLogP0.00
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylazetidin-3-yl)amino]-2,2-difluoropropanoic acid?
The IUPAC name of 3-[(1-ethylazetidin-3-yl)amino]-2,2-difluoropropanoic acid (CID 165466734) is 3-[(1-ethylazetidin-3-yl)amino]-2,2-difluoropropanoic acid.
What is the SMILES notation for 3-[(1-ethylazetidin-3-yl)amino]-2,2-difluoropropanoic acid?
The canonical SMILES for 3-[(1-ethylazetidin-3-yl)amino]-2,2-difluoropropanoic acid is CCN1CC(NCC(F)(F)C(=O)O)C1.
What is the InChIKey of 3-[(1-ethylazetidin-3-yl)amino]-2,2-difluoropropanoic acid?
The InChIKey is QCXUBZPBICKDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O2/c1-2-12-3-6(4-12)11-5-8(9,10)7(13)14/h6,11H,2-5H2,1H3,(H,13,14).
What are the key properties of 3-[(1-ethylazetidin-3-yl)amino]-2,2-difluoropropanoic acid?
3-[(1-ethylazetidin-3-yl)amino]-2,2-difluoropropanoic acid has a molecular weight of 208.21 g/mol, XLogP of 0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylazetidin-3-yl)amino]-2,2-difluoropropanoic acid is sourced from PubChem (CID 165466734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).