propyl 3-(3-cyclopentylpropanoylamino)propanoate

C14H25NO3 — CID 91726233

IUPACpropyl 3-(3-cyclopentylpropanoylamino)propanoate
SMILESCCCOC(=O)CCNC(=O)CCC1CCCC1
InChIInChI=1S/C14H25NO3/c1-2-11-18-14(17)9-10-15-13(16)8-7-12-5-3-4-6-12/h12H,2-11H2,1H3,(H,15,16)
InChIKeyHHPRPBZOMRULFD-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.42
Rot. Bonds8

About propyl 3-(3-cyclopentylpropanoylamino)propanoate

propyl 3-(3-cyclopentylpropanoylamino)propanoate (PubChem CID 91726233) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is propyl 3-(3-cyclopentylpropanoylamino)propanoate.

Molecular Properties

Compound Namepropyl 3-(3-cyclopentylpropanoylamino)propanoate
PubChem CID91726233
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Namepropyl 3-(3-cyclopentylpropanoylamino)propanoate
SMILESCCCOC(=O)CCNC(=O)CCC1CCCC1
InChIInChI=1S/C14H25NO3/c1-2-11-18-14(17)9-10-15-13(16)8-7-12-5-3-4-6-12/h12H,2-11H2,1H3,(H,15,16)
InChIKeyHHPRPBZOMRULFD-UHFFFAOYSA-N
XLogP2.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propyl 3-(3-cyclopentylpropanoylamino)propanoate?
The IUPAC name of propyl 3-(3-cyclopentylpropanoylamino)propanoate (CID 91726233) is propyl 3-(3-cyclopentylpropanoylamino)propanoate.
What is the SMILES notation for propyl 3-(3-cyclopentylpropanoylamino)propanoate?
The canonical SMILES for propyl 3-(3-cyclopentylpropanoylamino)propanoate is CCCOC(=O)CCNC(=O)CCC1CCCC1.
What is the InChIKey of propyl 3-(3-cyclopentylpropanoylamino)propanoate?
The InChIKey is HHPRPBZOMRULFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-2-11-18-14(17)9-10-15-13(16)8-7-12-5-3-4-6-12/h12H,2-11H2,1H3,(H,15,16).
What are the key properties of propyl 3-(3-cyclopentylpropanoylamino)propanoate?
propyl 3-(3-cyclopentylpropanoylamino)propanoate has a molecular weight of 255.36 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-(3-cyclopentylpropanoylamino)propanoate is sourced from PubChem (CID 91726233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).