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

C14H25F3N2O2 — CID 61155302

IUPAC(2S,3S)-2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C14H25F3N2O2/c1-3-9(2)12(18)13(20)19-10-5-4-6-11(7-10)21-8-14(15,16)17/h9-12H,3-8,18H2,1-2H3,(H,19,20)/t9-,10?,11?,12-/m0/s1
InChIKeyZMNSMDLQIKXNKB-XKGSQUFQSA-N
MW310.36 g/mol
LogP2.37
Rot. Bonds6

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

(2S,3S)-2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide (PubChem CID 61155302) has the molecular formula C14H25F3N2O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide
PubChem CID61155302
Molecular FormulaC14H25F3N2O2
Molecular Weight310.36 g/mol
Exact Mass310.19
IUPAC Name(2S,3S)-2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C14H25F3N2O2/c1-3-9(2)12(18)13(20)19-10-5-4-6-11(7-10)21-8-14(15,16)17/h9-12H,3-8,18H2,1-2H3,(H,19,20)/t9-,10?,11?,12-/m0/s1
InChIKeyZMNSMDLQIKXNKB-XKGSQUFQSA-N
XLogP2.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
CID 43698425
2,2,2-trifluoroethyl N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]carbamate
CID 65173974
2-bromo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
CID 63681193
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclohexane-1-carboxylic acid
CID 63044400
2-amino-2-cyclopropyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
CID 60865754
2-methyl-2-(methylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
CID 62836042
4-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide
CID 43698431
2-amino-N-cyclopropyl-3-methylpentanamide
CID 24695258
(2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]pentanamide
CID 61180289
1-(2-methoxyphenyl)-3-[3-(2,2,2-trifluoroethoxy)cyclohexyl]urea
CID 42956451
1-(4-methoxyphenyl)-3-[(1S,3R)-3-(2,2,2-trifluoroethoxy)cyclohexyl]urea
CID 38885386
5-oxo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-3-carboxamide
CID 78982699

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide (CID 61155302) is (2S,3S)-2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide is CC[C@H](C)[C@H](N)C(=O)NC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide?
The InChIKey is ZMNSMDLQIKXNKB-XKGSQUFQSA-N. The full InChI is InChI=1S/C14H25F3N2O2/c1-3-9(2)12(18)13(20)19-10-5-4-6-11(7-10)21-8-14(15,16)17/h9-12H,3-8,18H2,1-2H3,(H,19,20)/t9-,10?,11?,12-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide?
(2S,3S)-2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide has a molecular weight of 310.36 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide is sourced from PubChem (CID 61155302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).