methyl 2-[[2-(2-cyclopentylacetyl)oxyacetyl]amino]benzoate

C17H21NO5 — CID 2617358

IUPACmethyl 2-[[2-(2-cyclopentylacetyl)oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COC(=O)CC1CCCC1
InChIInChI=1S/C17H21NO5/c1-22-17(21)13-8-4-5-9-14(13)18-15(19)11-23-16(20)10-12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H,18,19)
InChIKeyUCCUUMMSPGXIMH-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.54
Rot. Bonds6

About methyl 2-[[2-(2-cyclopentylacetyl)oxyacetyl]amino]benzoate

methyl 2-[[2-(2-cyclopentylacetyl)oxyacetyl]amino]benzoate (PubChem CID 2617358) has the molecular formula C17H21NO5 and a molecular weight of 319.36 g/mol. Its IUPAC name is methyl 2-[[2-(2-cyclopentylacetyl)oxyacetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(2-cyclopentylacetyl)oxyacetyl]amino]benzoate
PubChem CID2617358
Molecular FormulaC17H21NO5
Molecular Weight319.36 g/mol
Exact Mass319.14
IUPAC Namemethyl 2-[[2-(2-cyclopentylacetyl)oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COC(=O)CC1CCCC1
InChIInChI=1S/C17H21NO5/c1-22-17(21)13-8-4-5-9-14(13)18-15(19)11-23-16(20)10-12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H,18,19)
InChIKeyUCCUUMMSPGXIMH-UHFFFAOYSA-N
XLogP2.54
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[2-(2-cyclohexylacetyl)oxyacetyl]amino]benzoate
CID 24686043
[2-(2-ethoxyanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 2617314
methyl 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzoate
CID 40706173
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-cyclopentylacetate
CID 9202919
methyl 2-[[2-(4-methylpentanoyloxy)acetyl]amino]benzoate
CID 7848385
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-cyclopentylacetate
CID 2617337
methyl 2-(cyclopentylmethylamino)benzoate
CID 55030315
methyl 2-[[3-(cyclohexylamino)-3-oxopropanoyl]amino]benzoate
CID 108942633
methyl 2-(cyclohexylmethylamino)benzoate
CID 43087805
methyl 2-[[2-[2-(4-methylphenoxy)acetyl]oxyacetyl]amino]benzoate
CID 35779031
methyl 2-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate
CID 2625317
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate
CID 7235533

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2-cyclopentylacetyl)oxyacetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(2-cyclopentylacetyl)oxyacetyl]amino]benzoate (CID 2617358) is methyl 2-[[2-(2-cyclopentylacetyl)oxyacetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(2-cyclopentylacetyl)oxyacetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(2-cyclopentylacetyl)oxyacetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)COC(=O)CC1CCCC1.
What is the InChIKey of methyl 2-[[2-(2-cyclopentylacetyl)oxyacetyl]amino]benzoate?
The InChIKey is UCCUUMMSPGXIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO5/c1-22-17(21)13-8-4-5-9-14(13)18-15(19)11-23-16(20)10-12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H,18,19).
What are the key properties of methyl 2-[[2-(2-cyclopentylacetyl)oxyacetyl]amino]benzoate?
methyl 2-[[2-(2-cyclopentylacetyl)oxyacetyl]amino]benzoate has a molecular weight of 319.36 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2-cyclopentylacetyl)oxyacetyl]amino]benzoate is sourced from PubChem (CID 2617358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).