methyl 2-[[2-cyclopropyl-4-(trifluoromethyl)benzoyl]-methylamino]acetate

C15H16F3NO3 — CID 169212318

IUPACmethyl 2-[[2-cyclopropyl-4-(trifluoromethyl)benzoyl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)c1ccc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C15H16F3NO3/c1-19(8-13(20)22-2)14(21)11-6-5-10(15(16,17)18)7-12(11)9-3-4-9/h5-7,9H,3-4,8H2,1-2H3
InChIKeyTZFXMQUVQPDPLI-UHFFFAOYSA-N
MW315.29 g/mol
LogP2.83
Rot. Bonds4

About methyl 2-[[2-cyclopropyl-4-(trifluoromethyl)benzoyl]-methylamino]acetate

methyl 2-[[2-cyclopropyl-4-(trifluoromethyl)benzoyl]-methylamino]acetate (PubChem CID 169212318) has the molecular formula C15H16F3NO3 and a molecular weight of 315.29 g/mol. Its IUPAC name is methyl 2-[[2-cyclopropyl-4-(trifluoromethyl)benzoyl]-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-cyclopropyl-4-(trifluoromethyl)benzoyl]-methylamino]acetate
PubChem CID169212318
Molecular FormulaC15H16F3NO3
Molecular Weight315.29 g/mol
Exact Mass315.11
IUPAC Namemethyl 2-[[2-cyclopropyl-4-(trifluoromethyl)benzoyl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)c1ccc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C15H16F3NO3/c1-19(8-13(20)22-2)14(21)11-6-5-10(15(16,17)18)7-12(11)9-3-4-9/h5-7,9H,3-4,8H2,1-2H3
InChIKeyTZFXMQUVQPDPLI-UHFFFAOYSA-N
XLogP2.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[2-cyclopropyl-4-(1-fluorocyclopropyl)benzoyl]-methylamino]acetate
CID 170277914
methyl 2-[(4-chloro-2-fluorobenzoyl)-methylamino]acetate
CID 43408243
methyl 2-[(2,4-dihydroxybenzoyl)-methylamino]acetate
CID 43422761
methyl 2-[[4,6-dimethoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]-methylamino]acetate
CID 23039198
methyl 2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]acetate
CID 115298884
N-[2-(cyclopentylamino)cyclopentyl]-2-cyclopropyl-4-(trifluoromethyl)benzamide
CID 51000996
methyl 2-[N-(2-methoxy-2-oxoethyl)-4-(trifluoromethyl)anilino]acetate
CID 62956796
bis(4-tert-butyl-2-cyclopropylphenyl)methanone
CID 140968414
4-[2-(methoxymethoxy)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxylic acid
CID 171115863
methyl 2-[3,3-difluoro-4-oxo-7-(trifluoromethyl)-1,2-dihydronaphthalen-1-yl]acetate
CID 170693665
[2-cyclopropyl-4-(trifluoromethyl)phenyl]boronic acid
CID 66520859
methyl 2-[(2-methoxybenzoyl)-methylamino]acetate
CID 584991

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-cyclopropyl-4-(trifluoromethyl)benzoyl]-methylamino]acetate?
The IUPAC name of methyl 2-[[2-cyclopropyl-4-(trifluoromethyl)benzoyl]-methylamino]acetate (CID 169212318) is methyl 2-[[2-cyclopropyl-4-(trifluoromethyl)benzoyl]-methylamino]acetate.
What is the SMILES notation for methyl 2-[[2-cyclopropyl-4-(trifluoromethyl)benzoyl]-methylamino]acetate?
The canonical SMILES for methyl 2-[[2-cyclopropyl-4-(trifluoromethyl)benzoyl]-methylamino]acetate is COC(=O)CN(C)C(=O)c1ccc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of methyl 2-[[2-cyclopropyl-4-(trifluoromethyl)benzoyl]-methylamino]acetate?
The InChIKey is TZFXMQUVQPDPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO3/c1-19(8-13(20)22-2)14(21)11-6-5-10(15(16,17)18)7-12(11)9-3-4-9/h5-7,9H,3-4,8H2,1-2H3.
What are the key properties of methyl 2-[[2-cyclopropyl-4-(trifluoromethyl)benzoyl]-methylamino]acetate?
methyl 2-[[2-cyclopropyl-4-(trifluoromethyl)benzoyl]-methylamino]acetate has a molecular weight of 315.29 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-cyclopropyl-4-(trifluoromethyl)benzoyl]-methylamino]acetate is sourced from PubChem (CID 169212318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).