methyl 2-(3-cyclopentylpropanoylamino)-3-(3-cyclopentylpropanoyloxy)propanoate

C20H33NO5 — CID 531449

IUPACmethyl 2-(3-cyclopentylpropanoylamino)-3-(3-cyclopentylpropanoyloxy)propanoate
SMILESCOC(=O)C(COC(=O)CCC1CCCC1)NC(=O)CCC1CCCC1
InChIInChI=1S/C20H33NO5/c1-25-20(24)17(21-18(22)12-10-15-6-2-3-7-15)14-26-19(23)13-11-16-8-4-5-9-16/h15-17H,2-14H2,1H3,(H,21,22)
InChIKeyQDCGDCHKEPOQTJ-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.13
Rot. Bonds10

About methyl 2-(3-cyclopentylpropanoylamino)-3-(3-cyclopentylpropanoyloxy)propanoate

methyl 2-(3-cyclopentylpropanoylamino)-3-(3-cyclopentylpropanoyloxy)propanoate (PubChem CID 531449) has the molecular formula C20H33NO5 and a molecular weight of 367.49 g/mol. Its IUPAC name is methyl 2-(3-cyclopentylpropanoylamino)-3-(3-cyclopentylpropanoyloxy)propanoate.

Molecular Properties

Compound Namemethyl 2-(3-cyclopentylpropanoylamino)-3-(3-cyclopentylpropanoyloxy)propanoate
PubChem CID531449
Molecular FormulaC20H33NO5
Molecular Weight367.49 g/mol
Exact Mass367.24
IUPAC Namemethyl 2-(3-cyclopentylpropanoylamino)-3-(3-cyclopentylpropanoyloxy)propanoate
SMILESCOC(=O)C(COC(=O)CCC1CCCC1)NC(=O)CCC1CCCC1
InChIInChI=1S/C20H33NO5/c1-25-20(24)17(21-18(22)12-10-15-6-2-3-7-15)14-26-19(23)13-11-16-8-4-5-9-16/h15-17H,2-14H2,1H3,(H,21,22)
InChIKeyQDCGDCHKEPOQTJ-UHFFFAOYSA-N
XLogP3.13
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-cyclopentylpropanoylamino)-3-(3-cyclopentylpropanoyloxy)propanoate?
The IUPAC name of methyl 2-(3-cyclopentylpropanoylamino)-3-(3-cyclopentylpropanoyloxy)propanoate (CID 531449) is methyl 2-(3-cyclopentylpropanoylamino)-3-(3-cyclopentylpropanoyloxy)propanoate.
What is the SMILES notation for methyl 2-(3-cyclopentylpropanoylamino)-3-(3-cyclopentylpropanoyloxy)propanoate?
The canonical SMILES for methyl 2-(3-cyclopentylpropanoylamino)-3-(3-cyclopentylpropanoyloxy)propanoate is COC(=O)C(COC(=O)CCC1CCCC1)NC(=O)CCC1CCCC1.
What is the InChIKey of methyl 2-(3-cyclopentylpropanoylamino)-3-(3-cyclopentylpropanoyloxy)propanoate?
The InChIKey is QDCGDCHKEPOQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO5/c1-25-20(24)17(21-18(22)12-10-15-6-2-3-7-15)14-26-19(23)13-11-16-8-4-5-9-16/h15-17H,2-14H2,1H3,(H,21,22).
What are the key properties of methyl 2-(3-cyclopentylpropanoylamino)-3-(3-cyclopentylpropanoyloxy)propanoate?
methyl 2-(3-cyclopentylpropanoylamino)-3-(3-cyclopentylpropanoyloxy)propanoate has a molecular weight of 367.49 g/mol, XLogP of 3.13, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-cyclopentylpropanoylamino)-3-(3-cyclopentylpropanoyloxy)propanoate is sourced from PubChem (CID 531449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).