dimethyl 5-[(2-cyclopentylacetyl)amino]benzene-1,3-dicarboxylate

C17H21NO5 — CID 2682961

IUPACdimethyl 5-[(2-cyclopentylacetyl)amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)CC2CCCC2)cc(C(=O)OC)c1
InChIInChI=1S/C17H21NO5/c1-22-16(20)12-8-13(17(21)23-2)10-14(9-12)18-15(19)7-11-5-3-4-6-11/h8-11H,3-7H2,1-2H3,(H,18,19)
InChIKeyZADUDGMGAKLCQK-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.78
Rot. Bonds5

About dimethyl 5-[(2-cyclopentylacetyl)amino]benzene-1,3-dicarboxylate

dimethyl 5-[(2-cyclopentylacetyl)amino]benzene-1,3-dicarboxylate (PubChem CID 2682961) has the molecular formula C17H21NO5 and a molecular weight of 319.36 g/mol. Its IUPAC name is dimethyl 5-[(2-cyclopentylacetyl)amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[(2-cyclopentylacetyl)amino]benzene-1,3-dicarboxylate
PubChem CID2682961
Molecular FormulaC17H21NO5
Molecular Weight319.36 g/mol
Exact Mass319.14
IUPAC Namedimethyl 5-[(2-cyclopentylacetyl)amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)CC2CCCC2)cc(C(=O)OC)c1
InChIInChI=1S/C17H21NO5/c1-22-16(20)12-8-13(17(21)23-2)10-14(9-12)18-15(19)7-11-5-3-4-6-11/h8-11H,3-7H2,1-2H3,(H,18,19)
InChIKeyZADUDGMGAKLCQK-UHFFFAOYSA-N
XLogP2.78
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[(2-cyclopentylacetyl)amino]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[(2-cyclopentylacetyl)amino]benzene-1,3-dicarboxylate (CID 2682961) is dimethyl 5-[(2-cyclopentylacetyl)amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[(2-cyclopentylacetyl)amino]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[(2-cyclopentylacetyl)amino]benzene-1,3-dicarboxylate is COC(=O)c1cc(NC(=O)CC2CCCC2)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[(2-cyclopentylacetyl)amino]benzene-1,3-dicarboxylate?
The InChIKey is ZADUDGMGAKLCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO5/c1-22-16(20)12-8-13(17(21)23-2)10-14(9-12)18-15(19)7-11-5-3-4-6-11/h8-11H,3-7H2,1-2H3,(H,18,19).
What are the key properties of dimethyl 5-[(2-cyclopentylacetyl)amino]benzene-1,3-dicarboxylate?
dimethyl 5-[(2-cyclopentylacetyl)amino]benzene-1,3-dicarboxylate has a molecular weight of 319.36 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[(2-cyclopentylacetyl)amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 2682961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).