2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl-propan-2-ylcarbamic acid

C9H15F3N2O3 — CID 87581566

IUPAC2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl-propan-2-ylcarbamic acid
SMILESCC(C)N(CCN(C)C(=O)C(F)(F)F)C(=O)O
InChIInChI=1S/C9H15F3N2O3/c1-6(2)14(8(16)17)5-4-13(3)7(15)9(10,11)12/h6H,4-5H2,1-3H3,(H,16,17)
InChIKeyAQGMABLNDUJHLT-UHFFFAOYSA-N
MW256.22 g/mol
LogP1.40
Rot. Bonds4

About 2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl-propan-2-ylcarbamic acid

2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl-propan-2-ylcarbamic acid (PubChem CID 87581566) has the molecular formula C9H15F3N2O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is 2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl-propan-2-ylcarbamic acid.

Molecular Properties

Compound Name2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl-propan-2-ylcarbamic acid
PubChem CID87581566
Molecular FormulaC9H15F3N2O3
Molecular Weight256.22 g/mol
Exact Mass256.10
IUPAC Name2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl-propan-2-ylcarbamic acid
SMILESCC(C)N(CCN(C)C(=O)C(F)(F)F)C(=O)O
InChIInChI=1S/C9H15F3N2O3/c1-6(2)14(8(16)17)5-4-13(3)7(15)9(10,11)12/h6H,4-5H2,1-3H3,(H,16,17)
InChIKeyAQGMABLNDUJHLT-UHFFFAOYSA-N
XLogP1.40
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl-propan-2-ylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl-propan-2-ylcarbamic acid?
The IUPAC name of 2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl-propan-2-ylcarbamic acid (CID 87581566) is 2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl-propan-2-ylcarbamic acid.
What is the SMILES notation for 2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl-propan-2-ylcarbamic acid?
The canonical SMILES for 2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl-propan-2-ylcarbamic acid is CC(C)N(CCN(C)C(=O)C(F)(F)F)C(=O)O.
What is the InChIKey of 2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl-propan-2-ylcarbamic acid?
The InChIKey is AQGMABLNDUJHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O3/c1-6(2)14(8(16)17)5-4-13(3)7(15)9(10,11)12/h6H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl-propan-2-ylcarbamic acid?
2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl-propan-2-ylcarbamic acid has a molecular weight of 256.22 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-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl-propan-2-ylcarbamic acid is sourced from PubChem (CID 87581566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).