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

C10H17F3N2O3 — CID 91206032

IUPAC[4,4-dimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]carbamic acid
SMILESCC(C)(C)CC(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)
InChIKeyNAYZWDHOVUFODC-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.74
Rot. Bonds4

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

[4,4-dimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]carbamic acid (PubChem CID 91206032) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is [4,4-dimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]carbamic acid.

Molecular Properties

Compound Name[4,4-dimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]carbamic acid
PubChem CID91206032
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name[4,4-dimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]carbamic acid
SMILESCC(C)(C)CC(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)
InChIKeyNAYZWDHOVUFODC-UHFFFAOYSA-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

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Related Compounds

3,3-dimethyl-N-propyl-2-(2,2,2-trifluoroacetamido)butanamide
CID 172907243
l-t-Leucine-n-methylamide trifluoroacetate salt
CID 18341348
2-[[2,5-Diamino-2-(difluoromethyl)pentanoyl]amino]propanoic acid
CID 19966327
2-[[5-Acetamido-2-amino-2-(difluoromethyl)pentanoyl]amino]acetic acid
CID 20254452
2-[[2-Acetamido-5-amino-2-(difluoromethyl)pentanoyl]amino]acetic acid
CID 20254472
(2R)-4,4-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]pentanamide
CID 59461057
(3R)-2-tert-butyl-3-(2,2,2-trifluoroethylcarbamoyl)piperazine-1-carboxylic acid
CID 67464232
[(2S)-5,5-dimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)hexan-2-yl]carbamic acid
CID 87869708
[2,2-Dimethyl-3-(2,2,2-trifluoroethylcarbamoyl)pentan-3-yl]carbamic acid
CID 87869710
[(2S)-4,4-dimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]carbamic acid
CID 87869837
[2,3,3-Trimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]carbamic acid
CID 87869838
[(2R)-4,4-dimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]carbamic acid
CID 87869871

Frequently Asked Questions

What is the IUPAC name of [4,4-dimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]carbamic acid?
The IUPAC name of [4,4-dimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]carbamic acid (CID 91206032) is [4,4-dimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]carbamic acid.
What is the SMILES notation for [4,4-dimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]carbamic acid?
The canonical SMILES for [4,4-dimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]carbamic acid is CC(C)(C)CC(NC(=O)O)C(=O)NCC(F)(F)F.
What is the InChIKey of [4,4-dimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]carbamic acid?
The InChIKey is NAYZWDHOVUFODC-UHFFFAOYSA-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).
What are the key properties of [4,4-dimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]carbamic acid?
[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 [4,4-dimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)pentan-2-yl]carbamic acid is sourced from PubChem (CID 91206032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).