(2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]pentanamide

C13H23F3N2O — CID 61180289

IUPAC(2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O/c1-3-8(2)11(17)12(19)18-10-6-4-9(5-7-10)13(14,15)16/h8-11H,3-7,17H2,1-2H3,(H,18,19)/t8-,9?,10?,11-/m0/s1
InChIKeyOCACKXQUEQIOQA-PMUOWJKOSA-N
MW280.33 g/mol
LogP2.60
Rot. Bonds4

About (2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]pentanamide

(2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]pentanamide (PubChem CID 61180289) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]pentanamide
PubChem CID61180289
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name(2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O/c1-3-8(2)11(17)12(19)18-10-6-4-9(5-7-10)13(14,15)16/h8-11H,3-7,17H2,1-2H3,(H,18,19)/t8-,9?,10?,11-/m0/s1
InChIKeyOCACKXQUEQIOQA-PMUOWJKOSA-N
XLogP2.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-cyclopropyl-3-methylpentanamide
CID 24695258
(2S,3S)-2-amino-3-methyl-N-(thian-4-yl)pentanamide
CID 103833033
2-amino-3-methyl-N-(oxan-4-yl)pentanamide
CID 43610144
2-amino-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3-methylpentanamide
CID 113407095
2-bromo-N-[4-(trifluoromethyl)cyclohexyl]butanamide
CID 62856040
2-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylpentanamide
CID 54863095
2-amino-N-[4-(trifluoromethyl)cyclohexyl]hexanamide
CID 54928386
2-amino-N-(1-ethylpiperidin-4-yl)-3-methylpentanamide
CID 54917233
(2S)-2-amino-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pentanamide
CID 113315069
2-amino-N-(2-cyclopropylpropan-2-yl)-3-methylpentanamide
CID 103832973
2-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]pentanamide
CID 65225132
2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpentanamide
CID 61274117

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]pentanamide?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]pentanamide (CID 61180289) is (2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]pentanamide?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]pentanamide is CC[C@H](C)[C@H](N)C(=O)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]pentanamide?
The InChIKey is OCACKXQUEQIOQA-PMUOWJKOSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-3-8(2)11(17)12(19)18-10-6-4-9(5-7-10)13(14,15)16/h8-11H,3-7,17H2,1-2H3,(H,18,19)/t8-,9?,10?,11-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]pentanamide?
(2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]pentanamide has a molecular weight of 280.33 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]pentanamide is sourced from PubChem (CID 61180289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).