2-[cyclopropylmethyl(3,3,3-trifluoropropyl)carbamoyl]cyclobutane-1-carboxylic acid

C13H18F3NO3 — CID 120977074

IUPAC2-[cyclopropylmethyl(3,3,3-trifluoropropyl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)N(CCC(F)(F)F)CC1CC1
InChIInChI=1S/C13H18F3NO3/c14-13(15,16)5-6-17(7-8-1-2-8)11(18)9-3-4-10(9)12(19)20/h8-10H,1-7H2,(H,19,20)
InChIKeyYTQLTASMJIYYGY-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.29
Rot. Bonds6

About 2-[cyclopropylmethyl(3,3,3-trifluoropropyl)carbamoyl]cyclobutane-1-carboxylic acid

2-[cyclopropylmethyl(3,3,3-trifluoropropyl)carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120977074) has the molecular formula C13H18F3NO3 and a molecular weight of 293.29 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(3,3,3-trifluoropropyl)carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl(3,3,3-trifluoropropyl)carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120977074
Molecular FormulaC13H18F3NO3
Molecular Weight293.29 g/mol
Exact Mass293.12
IUPAC Name2-[cyclopropylmethyl(3,3,3-trifluoropropyl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)N(CCC(F)(F)F)CC1CC1
InChIInChI=1S/C13H18F3NO3/c14-13(15,16)5-6-17(7-8-1-2-8)11(18)9-3-4-10(9)12(19)20/h8-10H,1-7H2,(H,19,20)
InChIKeyYTQLTASMJIYYGY-UHFFFAOYSA-N
XLogP2.29
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(3,3,3-trifluoropropyl)carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[cyclopropylmethyl(3,3,3-trifluoropropyl)carbamoyl]cyclobutane-1-carboxylic acid (CID 120977074) is 2-[cyclopropylmethyl(3,3,3-trifluoropropyl)carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[cyclopropylmethyl(3,3,3-trifluoropropyl)carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[cyclopropylmethyl(3,3,3-trifluoropropyl)carbamoyl]cyclobutane-1-carboxylic acid is O=C(O)C1CCC1C(=O)N(CCC(F)(F)F)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl(3,3,3-trifluoropropyl)carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is YTQLTASMJIYYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO3/c14-13(15,16)5-6-17(7-8-1-2-8)11(18)9-3-4-10(9)12(19)20/h8-10H,1-7H2,(H,19,20).
What are the key properties of 2-[cyclopropylmethyl(3,3,3-trifluoropropyl)carbamoyl]cyclobutane-1-carboxylic acid?
2-[cyclopropylmethyl(3,3,3-trifluoropropyl)carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 293.29 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(3,3,3-trifluoropropyl)carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120977074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).