[(2S)-4,4-dimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]carbamic acid

C10H17F3N2O3 — CID 87869837

IUPAC[(2S)-4,4-dimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]carbamic acid
SMILESCC(C)(C)C[C@H](NC(=O)O)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-9(2,3)4-6(15-8(17)18)7(16)14-5-10(11,12)13/h6,15H,4-5H2,1-3H3,(H,14,16)(H,17,18)/t6-/m0/s1
InChIKeyNAYZWDHOVUFODC-LURJTMIESA-N
MW270.25 g/mol
LogP1.74
Rot. Bonds4

About [(2S)-4,4-dimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]carbamic acid

[(2S)-4,4-dimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]carbamic acid (PubChem CID 87869837) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is [(2S)-4,4-dimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-4,4-dimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]carbamic acid
PubChem CID87869837
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name[(2S)-4,4-dimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]carbamic acid
SMILESCC(C)(C)C[C@H](NC(=O)O)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-9(2,3)4-6(15-8(17)18)7(16)14-5-10(11,12)13/h6,15H,4-5H2,1-3H3,(H,14,16)(H,17,18)/t6-/m0/s1
InChIKeyNAYZWDHOVUFODC-LURJTMIESA-N
XLogP1.74
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [(2S)-4,4-dimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]carbamic 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 [(2S)-4,4-dimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]carbamic acid?
The IUPAC name of [(2S)-4,4-dimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]carbamic acid (CID 87869837) is [(2S)-4,4-dimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-4,4-dimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-4,4-dimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]carbamic acid is CC(C)(C)C[C@H](NC(=O)O)C(=O)NCC(F)(F)F.
What is the InChIKey of [(2S)-4,4-dimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]carbamic acid?
The InChIKey is NAYZWDHOVUFODC-LURJTMIESA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-9(2,3)4-6(15-8(17)18)7(16)14-5-10(11,12)13/h6,15H,4-5H2,1-3H3,(H,14,16)(H,17,18)/t6-/m0/s1.
What are the key properties of [(2S)-4,4-dimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]carbamic acid?
[(2S)-4,4-dimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]carbamic acid has a molecular weight of 270.25 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4,4-dimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]carbamic acid is sourced from PubChem (CID 87869837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).