2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-4-hydroxybutanoic acid

C10H15F3N2O4 — CID 55009613

IUPAC2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-4-hydroxybutanoic acid
SMILESO=C(O)C(CCO)NC(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H15F3N2O4/c11-10(12,13)5-15(6-1-2-6)9(19)14-7(3-4-16)8(17)18/h6-7,16H,1-5H2,(H,14,19)(H,17,18)
InChIKeyBBFUQWHQJUDFHL-UHFFFAOYSA-N
MW284.23 g/mol
LogP0.56
Rot. Bonds6

About 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-4-hydroxybutanoic acid

2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-4-hydroxybutanoic acid (PubChem CID 55009613) has the molecular formula C10H15F3N2O4 and a molecular weight of 284.23 g/mol. Its IUPAC name is 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-4-hydroxybutanoic acid
PubChem CID55009613
Molecular FormulaC10H15F3N2O4
Molecular Weight284.23 g/mol
Exact Mass284.10
IUPAC Name2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-4-hydroxybutanoic acid
SMILESO=C(O)C(CCO)NC(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H15F3N2O4/c11-10(12,13)5-15(6-1-2-6)9(19)14-7(3-4-16)8(17)18/h6-7,16H,1-5H2,(H,14,19)(H,17,18)
InChIKeyBBFUQWHQJUDFHL-UHFFFAOYSA-N
XLogP0.56
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-4-hydroxybutanoic acid?
The IUPAC name of 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-4-hydroxybutanoic acid (CID 55009613) is 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-4-hydroxybutanoic acid.
What is the SMILES notation for 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-4-hydroxybutanoic acid?
The canonical SMILES for 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-4-hydroxybutanoic acid is O=C(O)C(CCO)NC(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-4-hydroxybutanoic acid?
The InChIKey is BBFUQWHQJUDFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O4/c11-10(12,13)5-15(6-1-2-6)9(19)14-7(3-4-16)8(17)18/h6-7,16H,1-5H2,(H,14,19)(H,17,18).
What are the key properties of 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-4-hydroxybutanoic acid?
2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-4-hydroxybutanoic acid has a molecular weight of 284.23 g/mol, XLogP of 0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 55009613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).