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

C7H10F2N2O3 — CID 177183394

IUPAC3-[(3,3-difluoroazetidine-1-carbonyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)N1CC(F)(F)C1
InChIInChI=1S/C7H10F2N2O3/c8-7(9)3-11(4-7)6(14)10-2-1-5(12)13/h1-4H2,(H,10,14)(H,12,13)
InChIKeyXKYCSBSUSJJYKW-UHFFFAOYSA-N
MW208.16 g/mol
LogP0.12
Rot. Bonds3

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

3-[(3,3-difluoroazetidine-1-carbonyl)amino]propanoic acid (PubChem CID 177183394) has the molecular formula C7H10F2N2O3 and a molecular weight of 208.16 g/mol. Its IUPAC name is 3-[(3,3-difluoroazetidine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(3,3-difluoroazetidine-1-carbonyl)amino]propanoic acid
PubChem CID177183394
Molecular FormulaC7H10F2N2O3
Molecular Weight208.16 g/mol
Exact Mass208.07
IUPAC Name3-[(3,3-difluoroazetidine-1-carbonyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)N1CC(F)(F)C1
InChIInChI=1S/C7H10F2N2O3/c8-7(9)3-11(4-7)6(14)10-2-1-5(12)13/h1-4H2,(H,10,14)(H,12,13)
InChIKeyXKYCSBSUSJJYKW-UHFFFAOYSA-N
XLogP0.12
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.16
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-difluoroazetidine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(3,3-difluoroazetidine-1-carbonyl)amino]propanoic acid (CID 177183394) is 3-[(3,3-difluoroazetidine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(3,3-difluoroazetidine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(3,3-difluoroazetidine-1-carbonyl)amino]propanoic acid is O=C(O)CCNC(=O)N1CC(F)(F)C1.
What is the InChIKey of 3-[(3,3-difluoroazetidine-1-carbonyl)amino]propanoic acid?
The InChIKey is XKYCSBSUSJJYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O3/c8-7(9)3-11(4-7)6(14)10-2-1-5(12)13/h1-4H2,(H,10,14)(H,12,13).
What are the key properties of 3-[(3,3-difluoroazetidine-1-carbonyl)amino]propanoic acid?
3-[(3,3-difluoroazetidine-1-carbonyl)amino]propanoic acid has a molecular weight of 208.16 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-difluoroazetidine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 177183394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).