3-[cyclopropyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid

C11H17F3N2O3 — CID 55009852

IUPAC3-[cyclopropyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
SMILESCCN(CC(F)(F)F)C(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C11H17F3N2O3/c1-2-15(7-11(12,13)14)10(19)16(8-3-4-8)6-5-9(17)18/h8H,2-7H2,1H3,(H,17,18)
InChIKeyYWZVRHYXEOACKN-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.93
Rot. Bonds6

About 3-[cyclopropyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid

3-[cyclopropyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid (PubChem CID 55009852) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 3-[cyclopropyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
PubChem CID55009852
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name3-[cyclopropyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
SMILESCCN(CC(F)(F)F)C(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C11H17F3N2O3/c1-2-15(7-11(12,13)14)10(19)16(8-3-4-8)6-5-9(17)18/h8H,2-7H2,1H3,(H,17,18)
InChIKeyYWZVRHYXEOACKN-UHFFFAOYSA-N
XLogP1.93
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid (CID 55009852) is 3-[cyclopropyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid is CCN(CC(F)(F)F)C(=O)N(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid?
The InChIKey is YWZVRHYXEOACKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-2-15(7-11(12,13)14)10(19)16(8-3-4-8)6-5-9(17)18/h8H,2-7H2,1H3,(H,17,18).
What are the key properties of 3-[cyclopropyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid?
3-[cyclopropyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid has a molecular weight of 282.26 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 55009852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).