butyl 3-(3-cyclopentylpropanoylamino)propanoate

C15H27NO3 — CID 91730067

IUPACbutyl 3-(3-cyclopentylpropanoylamino)propanoate
SMILESCCCCOC(=O)CCNC(=O)CCC1CCCC1
InChIInChI=1S/C15H27NO3/c1-2-3-12-19-15(18)10-11-16-14(17)9-8-13-6-4-5-7-13/h13H,2-12H2,1H3,(H,16,17)
InChIKeyAZFKGAUNZXZOSJ-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.81
Rot. Bonds9

About butyl 3-(3-cyclopentylpropanoylamino)propanoate

butyl 3-(3-cyclopentylpropanoylamino)propanoate (PubChem CID 91730067) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is butyl 3-(3-cyclopentylpropanoylamino)propanoate.

Molecular Properties

Compound Namebutyl 3-(3-cyclopentylpropanoylamino)propanoate
PubChem CID91730067
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Namebutyl 3-(3-cyclopentylpropanoylamino)propanoate
SMILESCCCCOC(=O)CCNC(=O)CCC1CCCC1
InChIInChI=1S/C15H27NO3/c1-2-3-12-19-15(18)10-11-16-14(17)9-8-13-6-4-5-7-13/h13H,2-12H2,1H3,(H,16,17)
InChIKeyAZFKGAUNZXZOSJ-UHFFFAOYSA-N
XLogP2.81
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butyl 3-(3-cyclopentylpropanoylamino)propanoate?
The IUPAC name of butyl 3-(3-cyclopentylpropanoylamino)propanoate (CID 91730067) is butyl 3-(3-cyclopentylpropanoylamino)propanoate.
What is the SMILES notation for butyl 3-(3-cyclopentylpropanoylamino)propanoate?
The canonical SMILES for butyl 3-(3-cyclopentylpropanoylamino)propanoate is CCCCOC(=O)CCNC(=O)CCC1CCCC1.
What is the InChIKey of butyl 3-(3-cyclopentylpropanoylamino)propanoate?
The InChIKey is AZFKGAUNZXZOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-2-3-12-19-15(18)10-11-16-14(17)9-8-13-6-4-5-7-13/h13H,2-12H2,1H3,(H,16,17).
What are the key properties of butyl 3-(3-cyclopentylpropanoylamino)propanoate?
butyl 3-(3-cyclopentylpropanoylamino)propanoate has a molecular weight of 269.38 g/mol, XLogP of 2.81, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 3-(3-cyclopentylpropanoylamino)propanoate is sourced from PubChem (CID 91730067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).