(2R)-2-amino-3-methyl-N-(4,4,4-trifluorobutyl)butanamide

C9H17F3N2O — CID 115519316

IUPAC(2R)-2-amino-3-methyl-N-(4,4,4-trifluorobutyl)butanamide
SMILESCC(C)[C@@H](N)C(=O)NCCCC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-6(2)7(13)8(15)14-5-3-4-9(10,11)12/h6-7H,3-5,13H2,1-2H3,(H,14,15)/t7-/m1/s1
InChIKeyFLVKCCRDOMOYCO-SSDOTTSWSA-N
MW226.24 g/mol
LogP1.43
Rot. Bonds5

About (2R)-2-amino-3-methyl-N-(4,4,4-trifluorobutyl)butanamide

(2R)-2-amino-3-methyl-N-(4,4,4-trifluorobutyl)butanamide (PubChem CID 115519316) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is (2R)-2-amino-3-methyl-N-(4,4,4-trifluorobutyl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-methyl-N-(4,4,4-trifluorobutyl)butanamide
PubChem CID115519316
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name(2R)-2-amino-3-methyl-N-(4,4,4-trifluorobutyl)butanamide
SMILESCC(C)[C@@H](N)C(=O)NCCCC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-6(2)7(13)8(15)14-5-3-4-9(10,11)12/h6-7H,3-5,13H2,1-2H3,(H,14,15)/t7-/m1/s1
InChIKeyFLVKCCRDOMOYCO-SSDOTTSWSA-N
XLogP1.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[8-[[(2S)-2-amino-3-methylbutanoyl]amino]octyl]-3-methylbutanamide
CID 101248769
2-amino-3-methyl-N-(5,5,5-trifluoropentyl)pentanamide
CID 113327482
6-amino-2-methyl-N-(4,4,4-trifluorobutyl)heptanamide
CID 113327443
4-amino-2-methyl-N-(4,4,4-trifluorobutyl)butanamide
CID 115519191
(2S)-2-amino-N-butyl-3-methylbutan(15N)amide
CID 158456312
(2S)-2-amino-N-(3-bromopropyl)-3-methylbutanamide
CID 139696005
2-carbamothioyl-3-methyl-N-(5,5,5-trifluoropentyl)butanamide
CID 115519819
(2S)-2-amino-N-(3-methoxypropyl)-3-methylbutanamide
CID 22690621
(2R)-2-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide
CID 79012909
(2R)-2-amino-3-methyl-N-(4-propan-2-yloxybutyl)butanamide
CID 106011533
5-[(2-amino-3-methylbutanoyl)amino]-2-methylpentanoic acid
CID 115867248
3-(4,4,4-trifluorobutylcarbamoylamino)butanoic acid
CID 115521243

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methyl-N-(4,4,4-trifluorobutyl)butanamide?
The IUPAC name of (2R)-2-amino-3-methyl-N-(4,4,4-trifluorobutyl)butanamide (CID 115519316) is (2R)-2-amino-3-methyl-N-(4,4,4-trifluorobutyl)butanamide.
What is the SMILES notation for (2R)-2-amino-3-methyl-N-(4,4,4-trifluorobutyl)butanamide?
The canonical SMILES for (2R)-2-amino-3-methyl-N-(4,4,4-trifluorobutyl)butanamide is CC(C)[C@@H](N)C(=O)NCCCC(F)(F)F.
What is the InChIKey of (2R)-2-amino-3-methyl-N-(4,4,4-trifluorobutyl)butanamide?
The InChIKey is FLVKCCRDOMOYCO-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-6(2)7(13)8(15)14-5-3-4-9(10,11)12/h6-7H,3-5,13H2,1-2H3,(H,14,15)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-3-methyl-N-(4,4,4-trifluorobutyl)butanamide?
(2R)-2-amino-3-methyl-N-(4,4,4-trifluorobutyl)butanamide has a molecular weight of 226.24 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methyl-N-(4,4,4-trifluorobutyl)butanamide is sourced from PubChem (CID 115519316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).