methyl 2-[[2-cyclopropyl-4-(1-fluorocyclopropyl)benzoyl]-methylamino]acetate

C17H20FNO3 — CID 170277914

IUPACmethyl 2-[[2-cyclopropyl-4-(1-fluorocyclopropyl)benzoyl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)c1ccc(C2(F)CC2)cc1C1CC1
InChIInChI=1S/C17H20FNO3/c1-19(10-15(20)22-2)16(21)13-6-5-12(17(18)7-8-17)9-14(13)11-3-4-11/h5-6,9,11H,3-4,7-8,10H2,1-2H3
InChIKeyACYSMTRTSJJBGA-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.77
Rot. Bonds5

About methyl 2-[[2-cyclopropyl-4-(1-fluorocyclopropyl)benzoyl]-methylamino]acetate

methyl 2-[[2-cyclopropyl-4-(1-fluorocyclopropyl)benzoyl]-methylamino]acetate (PubChem CID 170277914) has the molecular formula C17H20FNO3 and a molecular weight of 305.35 g/mol. Its IUPAC name is methyl 2-[[2-cyclopropyl-4-(1-fluorocyclopropyl)benzoyl]-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-cyclopropyl-4-(1-fluorocyclopropyl)benzoyl]-methylamino]acetate
PubChem CID170277914
Molecular FormulaC17H20FNO3
Molecular Weight305.35 g/mol
Exact Mass305.14
IUPAC Namemethyl 2-[[2-cyclopropyl-4-(1-fluorocyclopropyl)benzoyl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)c1ccc(C2(F)CC2)cc1C1CC1
InChIInChI=1S/C17H20FNO3/c1-19(10-15(20)22-2)16(21)13-6-5-12(17(18)7-8-17)9-14(13)11-3-4-11/h5-6,9,11H,3-4,7-8,10H2,1-2H3
InChIKeyACYSMTRTSJJBGA-UHFFFAOYSA-N
XLogP2.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-cyclopropyl-4-(1-fluorocyclopropyl)benzoyl]-methylamino]acetate?
The IUPAC name of methyl 2-[[2-cyclopropyl-4-(1-fluorocyclopropyl)benzoyl]-methylamino]acetate (CID 170277914) is methyl 2-[[2-cyclopropyl-4-(1-fluorocyclopropyl)benzoyl]-methylamino]acetate.
What is the SMILES notation for methyl 2-[[2-cyclopropyl-4-(1-fluorocyclopropyl)benzoyl]-methylamino]acetate?
The canonical SMILES for methyl 2-[[2-cyclopropyl-4-(1-fluorocyclopropyl)benzoyl]-methylamino]acetate is COC(=O)CN(C)C(=O)c1ccc(C2(F)CC2)cc1C1CC1.
What is the InChIKey of methyl 2-[[2-cyclopropyl-4-(1-fluorocyclopropyl)benzoyl]-methylamino]acetate?
The InChIKey is ACYSMTRTSJJBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO3/c1-19(10-15(20)22-2)16(21)13-6-5-12(17(18)7-8-17)9-14(13)11-3-4-11/h5-6,9,11H,3-4,7-8,10H2,1-2H3.
What are the key properties of methyl 2-[[2-cyclopropyl-4-(1-fluorocyclopropyl)benzoyl]-methylamino]acetate?
methyl 2-[[2-cyclopropyl-4-(1-fluorocyclopropyl)benzoyl]-methylamino]acetate has a molecular weight of 305.35 g/mol, XLogP of 2.77, 5 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-(1-fluorocyclopropyl)benzoyl]-methylamino]acetate is sourced from PubChem (CID 170277914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).