1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclobutane-1-carboxylic acid

C10H13F2N3O2 — CID 81167978

IUPAC1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(NCc2nccn2C(F)F)CCC1
InChIInChI=1S/C10H13F2N3O2/c11-9(12)15-5-4-13-7(15)6-14-10(8(16)17)2-1-3-10/h4-5,9,14H,1-3,6H2,(H,16,17)
InChIKeyAOMJZKUUERVRDR-UHFFFAOYSA-N
MW245.23 g/mol
LogP1.38
Rot. Bonds5

About 1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclobutane-1-carboxylic acid

1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclobutane-1-carboxylic acid (PubChem CID 81167978) has the molecular formula C10H13F2N3O2 and a molecular weight of 245.23 g/mol. Its IUPAC name is 1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclobutane-1-carboxylic acid
PubChem CID81167978
Molecular FormulaC10H13F2N3O2
Molecular Weight245.23 g/mol
Exact Mass245.10
IUPAC Name1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(NCc2nccn2C(F)F)CCC1
InChIInChI=1S/C10H13F2N3O2/c11-9(12)15-5-4-13-7(15)6-14-10(8(16)17)2-1-3-10/h4-5,9,14H,1-3,6H2,(H,16,17)
InChIKeyAOMJZKUUERVRDR-UHFFFAOYSA-N
XLogP1.38
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclobutane-1-carboxylic acid (CID 81167978) is 1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclobutane-1-carboxylic acid is O=C(O)C1(NCc2nccn2C(F)F)CCC1.
What is the InChIKey of 1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclobutane-1-carboxylic acid?
The InChIKey is AOMJZKUUERVRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O2/c11-9(12)15-5-4-13-7(15)6-14-10(8(16)17)2-1-3-10/h4-5,9,14H,1-3,6H2,(H,16,17).
What are the key properties of 1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclobutane-1-carboxylic acid?
1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclobutane-1-carboxylic acid has a molecular weight of 245.23 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81167978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).