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

C10H17F3N2O3 — CID 64701670

IUPAC3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methylbutanoic acid
SMILESCCN(CC(F)(F)F)C(=O)NC(C)(C)CC(=O)O
InChIInChI=1S/C10H17F3N2O3/c1-4-15(6-10(11,12)13)8(18)14-9(2,3)5-7(16)17/h4-6H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyRDPFMVYLPXBRST-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.83
Rot. Bonds5

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

3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methylbutanoic acid (PubChem CID 64701670) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methylbutanoic acid
PubChem CID64701670
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methylbutanoic acid
SMILESCCN(CC(F)(F)F)C(=O)NC(C)(C)CC(=O)O
InChIInChI=1S/C10H17F3N2O3/c1-4-15(6-10(11,12)13)8(18)14-9(2,3)5-7(16)17/h4-6H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyRDPFMVYLPXBRST-UHFFFAOYSA-N
XLogP1.83
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methylbutanoic acid?
The IUPAC name of 3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methylbutanoic acid (CID 64701670) is 3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for 3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methylbutanoic acid?
The canonical SMILES for 3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methylbutanoic acid is CCN(CC(F)(F)F)C(=O)NC(C)(C)CC(=O)O.
What is the InChIKey of 3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methylbutanoic acid?
The InChIKey is RDPFMVYLPXBRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-4-15(6-10(11,12)13)8(18)14-9(2,3)5-7(16)17/h4-6H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methylbutanoic acid?
3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methylbutanoic acid has a molecular weight of 270.25 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 64701670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).