methyl 3-[(2-cyclopentylacetyl)amino]-5-methyl-1H-pyrrole-2-carboxylate

C14H20N2O3 — CID 56785874

IUPACmethyl 3-[(2-cyclopentylacetyl)amino]-5-methyl-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1[nH]c(C)cc1NC(=O)CC1CCCC1
InChIInChI=1S/C14H20N2O3/c1-9-7-11(13(15-9)14(18)19-2)16-12(17)8-10-5-3-4-6-10/h7,10,15H,3-6,8H2,1-2H3,(H,16,17)
InChIKeyCJFZBDUNSIHFFL-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.63
Rot. Bonds4

About methyl 3-[(2-cyclopentylacetyl)amino]-5-methyl-1H-pyrrole-2-carboxylate

methyl 3-[(2-cyclopentylacetyl)amino]-5-methyl-1H-pyrrole-2-carboxylate (PubChem CID 56785874) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 3-[(2-cyclopentylacetyl)amino]-5-methyl-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-cyclopentylacetyl)amino]-5-methyl-1H-pyrrole-2-carboxylate
PubChem CID56785874
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 3-[(2-cyclopentylacetyl)amino]-5-methyl-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1[nH]c(C)cc1NC(=O)CC1CCCC1
InChIInChI=1S/C14H20N2O3/c1-9-7-11(13(15-9)14(18)19-2)16-12(17)8-10-5-3-4-6-10/h7,10,15H,3-6,8H2,1-2H3,(H,16,17)
InChIKeyCJFZBDUNSIHFFL-UHFFFAOYSA-N
XLogP2.63
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-cyclopentylacetyl)amino]-5-methyl-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 3-[(2-cyclopentylacetyl)amino]-5-methyl-1H-pyrrole-2-carboxylate (CID 56785874) is methyl 3-[(2-cyclopentylacetyl)amino]-5-methyl-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 3-[(2-cyclopentylacetyl)amino]-5-methyl-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 3-[(2-cyclopentylacetyl)amino]-5-methyl-1H-pyrrole-2-carboxylate is COC(=O)c1[nH]c(C)cc1NC(=O)CC1CCCC1.
What is the InChIKey of methyl 3-[(2-cyclopentylacetyl)amino]-5-methyl-1H-pyrrole-2-carboxylate?
The InChIKey is CJFZBDUNSIHFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-7-11(13(15-9)14(18)19-2)16-12(17)8-10-5-3-4-6-10/h7,10,15H,3-6,8H2,1-2H3,(H,16,17).
What are the key properties of methyl 3-[(2-cyclopentylacetyl)amino]-5-methyl-1H-pyrrole-2-carboxylate?
methyl 3-[(2-cyclopentylacetyl)amino]-5-methyl-1H-pyrrole-2-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-cyclopentylacetyl)amino]-5-methyl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 56785874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).