2-[butan-2-yl-[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]acetic acid

C17H20F3NO4 — CID 119954652

IUPAC2-[butan-2-yl-[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)C1CC1c1ccccc1OC(F)(F)F
InChIInChI=1S/C17H20F3NO4/c1-3-10(2)21(9-15(22)23)16(24)13-8-12(13)11-6-4-5-7-14(11)25-17(18,19)20/h4-7,10,12-13H,3,8-9H2,1-2H3,(H,22,23)
InChIKeyLOOWOYXJLLUREP-UHFFFAOYSA-N
MW359.34 g/mol
LogP3.40
Rot. Bonds7

About 2-[butan-2-yl-[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]acetic acid

2-[butan-2-yl-[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]acetic acid (PubChem CID 119954652) has the molecular formula C17H20F3NO4 and a molecular weight of 359.34 g/mol. Its IUPAC name is 2-[butan-2-yl-[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]acetic acid
PubChem CID119954652
Molecular FormulaC17H20F3NO4
Molecular Weight359.34 g/mol
Exact Mass359.13
IUPAC Name2-[butan-2-yl-[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)C1CC1c1ccccc1OC(F)(F)F
InChIInChI=1S/C17H20F3NO4/c1-3-10(2)21(9-15(22)23)16(24)13-8-12(13)11-6-4-5-7-14(11)25-17(18,19)20/h4-7,10,12-13H,3,8-9H2,1-2H3,(H,22,23)
InChIKeyLOOWOYXJLLUREP-UHFFFAOYSA-N
XLogP3.40
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 119581655
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
2-[oxan-4-yl-[(1R,2S)-2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]acetic acid
CID 125151976
2-[butan-2-yl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]acetic acid
CID 119955287
(2S,3S)-3-methyl-2-[[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]pentanoic acid
CID 119193778
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 111596715
(2S)-4-methyl-2-[[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]pentanoic acid
CID 119362041
trans-(1R,2R)-2-(2-methoxyphenyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 95321749
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-(2-aminoethyl)-N-(2-phenylethyl)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 120884853

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]acetic acid (CID 119954652) is 2-[butan-2-yl-[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)C1CC1c1ccccc1OC(F)(F)F.
What is the InChIKey of 2-[butan-2-yl-[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]acetic acid?
The InChIKey is LOOWOYXJLLUREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3NO4/c1-3-10(2)21(9-15(22)23)16(24)13-8-12(13)11-6-4-5-7-14(11)25-17(18,19)20/h4-7,10,12-13H,3,8-9H2,1-2H3,(H,22,23).
What are the key properties of 2-[butan-2-yl-[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]acetic acid?
2-[butan-2-yl-[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]acetic acid has a molecular weight of 359.34 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]acetic acid is sourced from PubChem (CID 119954652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).