4-amino-5-oxo-5-[[2-(trifluoromethyl)cyclohexyl]amino]pentanoic acid

C12H19F3N2O3 — CID 64895229

IUPAC4-amino-5-oxo-5-[[2-(trifluoromethyl)cyclohexyl]amino]pentanoic acid
SMILESNC(CCC(=O)O)C(=O)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C12H19F3N2O3/c13-12(14,15)7-3-1-2-4-9(7)17-11(20)8(16)5-6-10(18)19/h7-9H,1-6,16H2,(H,17,20)(H,18,19)
InChIKeyUQWXWEMRXYYLKE-UHFFFAOYSA-N
MW296.29 g/mol
LogP1.42
Rot. Bonds5

About 4-amino-5-oxo-5-[[2-(trifluoromethyl)cyclohexyl]amino]pentanoic acid

4-amino-5-oxo-5-[[2-(trifluoromethyl)cyclohexyl]amino]pentanoic acid (PubChem CID 64895229) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 4-amino-5-oxo-5-[[2-(trifluoromethyl)cyclohexyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-amino-5-oxo-5-[[2-(trifluoromethyl)cyclohexyl]amino]pentanoic acid
PubChem CID64895229
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Name4-amino-5-oxo-5-[[2-(trifluoromethyl)cyclohexyl]amino]pentanoic acid
SMILESNC(CCC(=O)O)C(=O)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C12H19F3N2O3/c13-12(14,15)7-3-1-2-4-9(7)17-11(20)8(16)5-6-10(18)19/h7-9H,1-6,16H2,(H,17,20)(H,18,19)
InChIKeyUQWXWEMRXYYLKE-UHFFFAOYSA-N
XLogP1.42
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-amino-5-oxo-5-[[2-(trifluoromethyl)cyclohexyl]amino]pentanoic acid with MolForge

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Related Compounds

(2S)-2-amino-4-methylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide
CID 61177899
(2S)-2-amino-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]pentanamide
CID 61177900
4-amino-5-[(2-methylcyclohexyl)amino]-5-oxopentanoic acid
CID 64895983
(2S)-2-amino-3,3-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide
CID 61178090
4-amino-5-(2-cyclopentylethylamino)-5-oxopentanoic acid
CID 64887954
4-amino-5-(oxan-4-ylamino)-5-oxopentanoic acid
CID 64896395
3-amino-4-[[(1R,2R)-2-hydroxycyclohexyl]amino]-4-oxobutanoic acid
CID 107222087
4-amino-5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid
CID 64888566
4-amino-5-[(2,2-dimethylcyclohexyl)amino]-5-oxopentanoic acid
CID 79878132
4-amino-5-[[(1S)-1-cyclopentylethyl]amino]-5-oxopentanoic acid
CID 81391187
6-amino-N-[2-(trifluoromethyl)cyclohexyl]hexanamide
CID 43712731
2-(2-aminohexanoylamino)cyclohexane-1-carboxylic acid
CID 64817389

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-oxo-5-[[2-(trifluoromethyl)cyclohexyl]amino]pentanoic acid?
The IUPAC name of 4-amino-5-oxo-5-[[2-(trifluoromethyl)cyclohexyl]amino]pentanoic acid (CID 64895229) is 4-amino-5-oxo-5-[[2-(trifluoromethyl)cyclohexyl]amino]pentanoic acid.
What is the SMILES notation for 4-amino-5-oxo-5-[[2-(trifluoromethyl)cyclohexyl]amino]pentanoic acid?
The canonical SMILES for 4-amino-5-oxo-5-[[2-(trifluoromethyl)cyclohexyl]amino]pentanoic acid is NC(CCC(=O)O)C(=O)NC1CCCCC1C(F)(F)F.
What is the InChIKey of 4-amino-5-oxo-5-[[2-(trifluoromethyl)cyclohexyl]amino]pentanoic acid?
The InChIKey is UQWXWEMRXYYLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c13-12(14,15)7-3-1-2-4-9(7)17-11(20)8(16)5-6-10(18)19/h7-9H,1-6,16H2,(H,17,20)(H,18,19).
What are the key properties of 4-amino-5-oxo-5-[[2-(trifluoromethyl)cyclohexyl]amino]pentanoic acid?
4-amino-5-oxo-5-[[2-(trifluoromethyl)cyclohexyl]amino]pentanoic acid has a molecular weight of 296.29 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-oxo-5-[[2-(trifluoromethyl)cyclohexyl]amino]pentanoic acid is sourced from PubChem (CID 64895229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).