cis-(1R,2S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide

C15H17F3N2O3 — CID 95775915

IUPACcis-(1R,2S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
SMILESCC(C)(NC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)C(N)=O
InChIInChI=1S/C15H17F3N2O3/c1-14(2,13(19)22)20-12(21)10-7-9(10)8-5-3-4-6-11(8)23-15(16,17)18/h3-6,9-10H,7H2,1-2H3,(H2,19,22)(H,20,21)/t9-,10-/m1/s1
InChIKeyRRZFKOOTEVJFHL-NXEZZACHSA-N
MW330.31 g/mol
LogP2.07
Rot. Bonds5

About cis-(1R,2S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide

cis-(1R,2S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide (PubChem CID 95775915) has the molecular formula C15H17F3N2O3 and a molecular weight of 330.31 g/mol. Its IUPAC name is cis-(1R,2S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
PubChem CID95775915
Molecular FormulaC15H17F3N2O3
Molecular Weight330.31 g/mol
Exact Mass330.12
IUPAC Namecis-(1R,2S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
SMILESCC(C)(NC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)C(N)=O
InChIInChI=1S/C15H17F3N2O3/c1-14(2,13(19)22)20-12(21)10-7-9(10)8-5-3-4-6-11(8)23-15(16,17)18/h3-6,9-10H,7H2,1-2H3,(H2,19,22)(H,20,21)/t9-,10-/m1/s1
InChIKeyRRZFKOOTEVJFHL-NXEZZACHSA-N
XLogP2.07
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-N-(1,2,4-triazol-4-yl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 97260175
trans-(1S,2S)-N-(1,2,4-triazol-4-yl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 97260176
cis-(1R,2S)-N-(1,2,4-triazol-4-yl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 97260178
N-[(2R)-2-(ethylamino)propyl]-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 120651037
(2S)-2-[[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]hexanoic acid
CID 120615374
N-pyrrolidin-3-yl-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 119449909
(2S,3S)-3-methyl-2-[[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]pentanoic acid
CID 119193778
(2S)-4-methyl-2-[[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]pentanoic acid
CID 119362041
N-[2-(ethylaminomethyl)phenyl]-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 119438897
3-[methyl-[(1R,2R)-2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]propanoic acid
CID 124686663
3-[methyl-[(1S,2R)-2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]propanoic acid
CID 124686690
N-(1-aminopropan-2-yl)-N-methyl-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 119581655

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide (CID 95775915) is cis-(1R,2S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide is CC(C)(NC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)C(N)=O.
What is the InChIKey of cis-(1R,2S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide?
The InChIKey is RRZFKOOTEVJFHL-NXEZZACHSA-N. The full InChI is InChI=1S/C15H17F3N2O3/c1-14(2,13(19)22)20-12(21)10-7-9(10)8-5-3-4-6-11(8)23-15(16,17)18/h3-6,9-10H,7H2,1-2H3,(H2,19,22)(H,20,21)/t9-,10-/m1/s1.
What are the key properties of cis-(1R,2S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide?
cis-(1R,2S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide has a molecular weight of 330.31 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 95775915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).