2-[1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]azetidin-3-yl]acetic acid

C10H15F3N2O3 — CID 64617865

IUPAC2-[1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]azetidin-3-yl]acetic acid
SMILESCCN(CC(F)(F)F)C(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C10H15F3N2O3/c1-2-14(6-10(11,12)13)9(18)15-4-7(5-15)3-8(16)17/h7H,2-6H2,1H3,(H,16,17)
InChIKeySMCCBCLBVRKLFB-UHFFFAOYSA-N
MW268.23 g/mol
LogP1.40
Rot. Bonds4

About 2-[1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]azetidin-3-yl]acetic acid

2-[1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]azetidin-3-yl]acetic acid (PubChem CID 64617865) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 2-[1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]azetidin-3-yl]acetic acid
PubChem CID64617865
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name2-[1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]azetidin-3-yl]acetic acid
SMILESCCN(CC(F)(F)F)C(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C10H15F3N2O3/c1-2-14(6-10(11,12)13)9(18)15-4-7(5-15)3-8(16)17/h7H,2-6H2,1H3,(H,16,17)
InChIKeySMCCBCLBVRKLFB-UHFFFAOYSA-N
XLogP1.40
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]azetidin-3-yl]acetic acid (CID 64617865) is 2-[1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]azetidin-3-yl]acetic acid is CCN(CC(F)(F)F)C(=O)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]azetidin-3-yl]acetic acid?
The InChIKey is SMCCBCLBVRKLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-2-14(6-10(11,12)13)9(18)15-4-7(5-15)3-8(16)17/h7H,2-6H2,1H3,(H,16,17).
What are the key properties of 2-[1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]azetidin-3-yl]acetic acid?
2-[1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]azetidin-3-yl]acetic acid has a molecular weight of 268.23 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64617865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).