2-[cyclopropyl-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid

C11H15F3N2O3 — CID 55009858

IUPAC2-[cyclopropyl-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)N(CC(F)(F)F)C1CC1)C1CC1
InChIInChI=1S/C11H15F3N2O3/c12-11(13,14)6-16(8-3-4-8)10(19)15(5-9(17)18)7-1-2-7/h7-8H,1-6H2,(H,17,18)
InChIKeyZSWPRJBIVRYXNR-UHFFFAOYSA-N
MW280.25 g/mol
LogP1.68
Rot. Bonds5

About 2-[cyclopropyl-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid

2-[cyclopropyl-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid (PubChem CID 55009858) has the molecular formula C11H15F3N2O3 and a molecular weight of 280.25 g/mol. Its IUPAC name is 2-[cyclopropyl-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
PubChem CID55009858
Molecular FormulaC11H15F3N2O3
Molecular Weight280.25 g/mol
Exact Mass280.10
IUPAC Name2-[cyclopropyl-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)N(CC(F)(F)F)C1CC1)C1CC1
InChIInChI=1S/C11H15F3N2O3/c12-11(13,14)6-16(8-3-4-8)10(19)15(5-9(17)18)7-1-2-7/h7-8H,1-6H2,(H,17,18)
InChIKeyZSWPRJBIVRYXNR-UHFFFAOYSA-N
XLogP1.68
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid (CID 55009858) is 2-[cyclopropyl-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid is O=C(O)CN(C(=O)N(CC(F)(F)F)C1CC1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
The InChIKey is ZSWPRJBIVRYXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3/c12-11(13,14)6-16(8-3-4-8)10(19)15(5-9(17)18)7-1-2-7/h7-8H,1-6H2,(H,17,18).
What are the key properties of 2-[cyclopropyl-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
2-[cyclopropyl-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid has a molecular weight of 280.25 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 55009858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).