methyl 3-(2-cyclopentyl-1H-imidazol-5-yl)propanoate

C12H18N2O2 — CID 3011567

IUPACmethyl 3-(2-cyclopentyl-1H-imidazol-5-yl)propanoate
SMILESCOC(=O)CCc1cnc(C2CCCC2)[nH]1
InChIInChI=1S/C12H18N2O2/c1-16-11(15)7-6-10-8-13-12(14-10)9-4-2-3-5-9/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeyLSHFJHXPZHGWON-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.17
Rot. Bonds4

About methyl 3-(2-cyclopentyl-1H-imidazol-5-yl)propanoate

methyl 3-(2-cyclopentyl-1H-imidazol-5-yl)propanoate (PubChem CID 3011567) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is methyl 3-(2-cyclopentyl-1H-imidazol-5-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-cyclopentyl-1H-imidazol-5-yl)propanoate
PubChem CID3011567
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Namemethyl 3-(2-cyclopentyl-1H-imidazol-5-yl)propanoate
SMILESCOC(=O)CCc1cnc(C2CCCC2)[nH]1
InChIInChI=1S/C12H18N2O2/c1-16-11(15)7-6-10-8-13-12(14-10)9-4-2-3-5-9/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeyLSHFJHXPZHGWON-UHFFFAOYSA-N
XLogP2.17
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-cyclopentyl-1H-imidazol-5-yl)propanoate?
The IUPAC name of methyl 3-(2-cyclopentyl-1H-imidazol-5-yl)propanoate (CID 3011567) is methyl 3-(2-cyclopentyl-1H-imidazol-5-yl)propanoate.
What is the SMILES notation for methyl 3-(2-cyclopentyl-1H-imidazol-5-yl)propanoate?
The canonical SMILES for methyl 3-(2-cyclopentyl-1H-imidazol-5-yl)propanoate is COC(=O)CCc1cnc(C2CCCC2)[nH]1.
What is the InChIKey of methyl 3-(2-cyclopentyl-1H-imidazol-5-yl)propanoate?
The InChIKey is LSHFJHXPZHGWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-16-11(15)7-6-10-8-13-12(14-10)9-4-2-3-5-9/h8-9H,2-7H2,1H3,(H,13,14).
What are the key properties of methyl 3-(2-cyclopentyl-1H-imidazol-5-yl)propanoate?
methyl 3-(2-cyclopentyl-1H-imidazol-5-yl)propanoate has a molecular weight of 222.29 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-cyclopentyl-1H-imidazol-5-yl)propanoate is sourced from PubChem (CID 3011567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).