methyl 4-cyclopentyloxy-2-(cyclopropylamino)butanoate

C13H23NO3 — CID 63041385

IUPACmethyl 4-cyclopentyloxy-2-(cyclopropylamino)butanoate
SMILESCOC(=O)C(CCOC1CCCC1)NC1CC1
InChIInChI=1S/C13H23NO3/c1-16-13(15)12(14-10-6-7-10)8-9-17-11-4-2-3-5-11/h10-12,14H,2-9H2,1H3
InChIKeyQYDHDUWNTJUWFZ-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.63
Rot. Bonds7

About methyl 4-cyclopentyloxy-2-(cyclopropylamino)butanoate

methyl 4-cyclopentyloxy-2-(cyclopropylamino)butanoate (PubChem CID 63041385) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is methyl 4-cyclopentyloxy-2-(cyclopropylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-cyclopentyloxy-2-(cyclopropylamino)butanoate
PubChem CID63041385
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Namemethyl 4-cyclopentyloxy-2-(cyclopropylamino)butanoate
SMILESCOC(=O)C(CCOC1CCCC1)NC1CC1
InChIInChI=1S/C13H23NO3/c1-16-13(15)12(14-10-6-7-10)8-9-17-11-4-2-3-5-11/h10-12,14H,2-9H2,1H3
InChIKeyQYDHDUWNTJUWFZ-UHFFFAOYSA-N
XLogP1.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-cyclopentyloxy-2-(cyclopropylamino)butanoate?
The IUPAC name of methyl 4-cyclopentyloxy-2-(cyclopropylamino)butanoate (CID 63041385) is methyl 4-cyclopentyloxy-2-(cyclopropylamino)butanoate.
What is the SMILES notation for methyl 4-cyclopentyloxy-2-(cyclopropylamino)butanoate?
The canonical SMILES for methyl 4-cyclopentyloxy-2-(cyclopropylamino)butanoate is COC(=O)C(CCOC1CCCC1)NC1CC1.
What is the InChIKey of methyl 4-cyclopentyloxy-2-(cyclopropylamino)butanoate?
The InChIKey is QYDHDUWNTJUWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-16-13(15)12(14-10-6-7-10)8-9-17-11-4-2-3-5-11/h10-12,14H,2-9H2,1H3.
What are the key properties of methyl 4-cyclopentyloxy-2-(cyclopropylamino)butanoate?
methyl 4-cyclopentyloxy-2-(cyclopropylamino)butanoate has a molecular weight of 241.33 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-cyclopentyloxy-2-(cyclopropylamino)butanoate is sourced from PubChem (CID 63041385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).