(2S)-2-[[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]hexanoic acid

C17H20F3NO4 — CID 120615374

IUPAC(2S)-2-[[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)C1CC1c1ccccc1OC(F)(F)F)C(=O)O
InChIInChI=1S/C17H20F3NO4/c1-2-3-7-13(16(23)24)21-15(22)12-9-11(12)10-6-4-5-8-14(10)25-17(18,19)20/h4-6,8,11-13H,2-3,7,9H2,1H3,(H,21,22)(H,23,24)/t11?,12?,13-/m0/s1
InChIKeyHFGFOYRNXLTNCL-BPCQOVAHSA-N
MW359.34 g/mol
LogP3.45
Rot. Bonds8

About (2S)-2-[[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]hexanoic acid

(2S)-2-[[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]hexanoic acid (PubChem CID 120615374) has the molecular formula C17H20F3NO4 and a molecular weight of 359.34 g/mol. Its IUPAC name is (2S)-2-[[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]hexanoic acid
PubChem CID120615374
Molecular FormulaC17H20F3NO4
Molecular Weight359.34 g/mol
Exact Mass359.13
IUPAC Name(2S)-2-[[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)C1CC1c1ccccc1OC(F)(F)F)C(=O)O
InChIInChI=1S/C17H20F3NO4/c1-2-3-7-13(16(23)24)21-15(22)12-9-11(12)10-6-4-5-8-14(10)25-17(18,19)20/h4-6,8,11-13H,2-3,7,9H2,1H3,(H,21,22)(H,23,24)/t11?,12?,13-/m0/s1
InChIKeyHFGFOYRNXLTNCL-BPCQOVAHSA-N
XLogP3.45
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]hexanoic acid with MolForge

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Related Compounds

(2S)-4-methyl-2-[[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]pentanoic acid
CID 119362041
(2S,3S)-3-methyl-2-[[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]pentanoic acid
CID 119193778
(2S)-2-[(2-phenylcyclopropanecarbonyl)amino]hexanoic acid
CID 107144642
2-[2-(trifluoromethoxy)anilino]hexanoic acid
CID 103233518
N-[(2R)-2-(ethylamino)propyl]-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 120651037
2-[butan-2-yl-[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]acetic acid
CID 119954652
3-[methyl-[(1S,2R)-2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]propanoic acid
CID 124686690
(2S)-2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]pentanoic acid
CID 129446041
cis-(1R,2S)-N-(1,2,4-triazol-4-yl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 97260178
trans-(1S,2S)-N-(1,2,4-triazol-4-yl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 97260176
N-(1-aminopropan-2-yl)-N-methyl-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 119581655
2-[[2-(trifluoromethyl)cyclohexanecarbonyl]amino]hexanoic acid
CID 104544073

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]hexanoic acid?
The IUPAC name of (2S)-2-[[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]hexanoic acid (CID 120615374) is (2S)-2-[[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]hexanoic acid?
The canonical SMILES for (2S)-2-[[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]hexanoic acid is CCCC[C@H](NC(=O)C1CC1c1ccccc1OC(F)(F)F)C(=O)O.
What is the InChIKey of (2S)-2-[[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]hexanoic acid?
The InChIKey is HFGFOYRNXLTNCL-BPCQOVAHSA-N. The full InChI is InChI=1S/C17H20F3NO4/c1-2-3-7-13(16(23)24)21-15(22)12-9-11(12)10-6-4-5-8-14(10)25-17(18,19)20/h4-6,8,11-13H,2-3,7,9H2,1H3,(H,21,22)(H,23,24)/t11?,12?,13-/m0/s1.
What are the key properties of (2S)-2-[[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]hexanoic acid?
(2S)-2-[[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]hexanoic acid has a molecular weight of 359.34 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]hexanoic acid is sourced from PubChem (CID 120615374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).