(2S)-2-amino-4-methyl-N-(3,3,3-trifluoropropyl)pentanamide

C9H17F3N2O — CID 63226851

IUPAC(2S)-2-amino-4-methyl-N-(3,3,3-trifluoropropyl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCCC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-6(2)5-7(13)8(15)14-4-3-9(10,11)12/h6-7H,3-5,13H2,1-2H3,(H,14,15)/t7-/m0/s1
InChIKeyKACGCDNIASFXEI-ZETCQYMHSA-N
MW226.24 g/mol
LogP1.43
Rot. Bonds5

About (2S)-2-amino-4-methyl-N-(3,3,3-trifluoropropyl)pentanamide

(2S)-2-amino-4-methyl-N-(3,3,3-trifluoropropyl)pentanamide (PubChem CID 63226851) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-(3,3,3-trifluoropropyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-(3,3,3-trifluoropropyl)pentanamide
PubChem CID63226851
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name(2S)-2-amino-4-methyl-N-(3,3,3-trifluoropropyl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCCC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-6(2)5-7(13)8(15)14-4-3-9(10,11)12/h6-7H,3-5,13H2,1-2H3,(H,14,15)/t7-/m0/s1
InChIKeyKACGCDNIASFXEI-ZETCQYMHSA-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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-(3,3,3-trifluoropropyl)pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-(3,3,3-trifluoropropyl)pentanamide (CID 63226851) is (2S)-2-amino-4-methyl-N-(3,3,3-trifluoropropyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-(3,3,3-trifluoropropyl)pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-(3,3,3-trifluoropropyl)pentanamide is CC(C)C[C@H](N)C(=O)NCCC(F)(F)F.
What is the InChIKey of (2S)-2-amino-4-methyl-N-(3,3,3-trifluoropropyl)pentanamide?
The InChIKey is KACGCDNIASFXEI-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-6(2)5-7(13)8(15)14-4-3-9(10,11)12/h6-7H,3-5,13H2,1-2H3,(H,14,15)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-(3,3,3-trifluoropropyl)pentanamide?
(2S)-2-amino-4-methyl-N-(3,3,3-trifluoropropyl)pentanamide 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 (2S)-2-amino-4-methyl-N-(3,3,3-trifluoropropyl)pentanamide is sourced from PubChem (CID 63226851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).