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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Related Compounds

methyl 5-methyl-3-[[2-[4-(trifluoromethyl)piperidin-1-yl]acetyl]amino]-1H-pyrrole-2-carboxylate
CID 84597767
dimethyl 5-[(2-cyclohexylacetyl)amino]benzene-1,3-dicarboxylate
CID 46798654
2-cyclohexyl-N-(2-methoxyphenyl)acetamide
CID 880879
N-(2-bromo-5-methoxyphenyl)-2-cyclopentylacetamide
CID 62416412
N-[4-(aminomethyl)-2-methoxyphenyl]-2-cyclohexylacetamide
CID 104847616
N-(2-amino-4-methoxyphenyl)-2-cycloheptylacetamide
CID 114457002
methyl 3-[(2-cyclobutylacetyl)amino]benzoate
CID 103706367
N-(2-bromo-5-methoxyphenyl)-2-cyclobutylacetamide
CID 103707213
2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide
CID 2682853
2-cyclopentyl-N-(5-ethyl-1H-pyrazol-3-yl)acetamide
CID 115593738
methyl 4-chloro-2-[(2-piperidin-4-ylacetyl)amino]benzoate
CID 61028552
methyl 5-fluoro-2-[(2-piperidin-4-ylacetyl)amino]benzoate
CID 61030182

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).