2-[(3,3-difluoroazetidine-1-carbonyl)amino]acetic acid

C6H8F2N2O3 — CID 165139852

IUPAC2-[(3,3-difluoroazetidine-1-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)N1CC(F)(F)C1
InChIInChI=1S/C6H8F2N2O3/c7-6(8)2-10(3-6)5(13)9-1-4(11)12/h1-3H2,(H,9,13)(H,11,12)
InChIKeyLLIVEPVBMWLARA-UHFFFAOYSA-N
MW194.14 g/mol
LogP-0.27
Rot. Bonds2

About 2-[(3,3-difluoroazetidine-1-carbonyl)amino]acetic acid

2-[(3,3-difluoroazetidine-1-carbonyl)amino]acetic acid (PubChem CID 165139852) has the molecular formula C6H8F2N2O3 and a molecular weight of 194.14 g/mol. Its IUPAC name is 2-[(3,3-difluoroazetidine-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3,3-difluoroazetidine-1-carbonyl)amino]acetic acid
PubChem CID165139852
Molecular FormulaC6H8F2N2O3
Molecular Weight194.14 g/mol
Exact Mass194.05
IUPAC Name2-[(3,3-difluoroazetidine-1-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)N1CC(F)(F)C1
InChIInChI=1S/C6H8F2N2O3/c7-6(8)2-10(3-6)5(13)9-1-4(11)12/h1-3H2,(H,9,13)(H,11,12)
InChIKeyLLIVEPVBMWLARA-UHFFFAOYSA-N
XLogP-0.27
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.14
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Trifluoromethylcarbamoylamino)acetic acid
CID 108865859
Azetidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 139535162
2-(2,2,2-Trifluoroethylcarbamoylamino)acetic acid
CID 16789372
2-[Methyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid
CID 43135808
2-[Carboxymethyl(3,3,3-trifluoropropylcarbamoyl)amino]acetic acid
CID 55246706
2-[[Methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 60890849
2-[Ethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid
CID 61183621
2-[Propyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid
CID 61183799
2-[Butan-2-yl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid
CID 61186108
2-[[Ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 61606994
2-[[Propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 61607617
2-[2-Methylpropyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid
CID 63066490

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-difluoroazetidine-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(3,3-difluoroazetidine-1-carbonyl)amino]acetic acid (CID 165139852) is 2-[(3,3-difluoroazetidine-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(3,3-difluoroazetidine-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(3,3-difluoroazetidine-1-carbonyl)amino]acetic acid is O=C(O)CNC(=O)N1CC(F)(F)C1.
What is the InChIKey of 2-[(3,3-difluoroazetidine-1-carbonyl)amino]acetic acid?
The InChIKey is LLIVEPVBMWLARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2O3/c7-6(8)2-10(3-6)5(13)9-1-4(11)12/h1-3H2,(H,9,13)(H,11,12).
What are the key properties of 2-[(3,3-difluoroazetidine-1-carbonyl)amino]acetic acid?
2-[(3,3-difluoroazetidine-1-carbonyl)amino]acetic acid has a molecular weight of 194.14 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-difluoroazetidine-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 165139852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).