pentyl 3-(3-cyclopentylpropanoylamino)propanoate

C16H29NO3 — CID 91733092

IUPACpentyl 3-(3-cyclopentylpropanoylamino)propanoate
SMILESCCCCCOC(=O)CCNC(=O)CCC1CCCC1
InChIInChI=1S/C16H29NO3/c1-2-3-6-13-20-16(19)11-12-17-15(18)10-9-14-7-4-5-8-14/h14H,2-13H2,1H3,(H,17,18)
InChIKeyLNWWNMMMEIYEDE-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.20
Rot. Bonds10

About pentyl 3-(3-cyclopentylpropanoylamino)propanoate

pentyl 3-(3-cyclopentylpropanoylamino)propanoate (PubChem CID 91733092) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is pentyl 3-(3-cyclopentylpropanoylamino)propanoate.

Molecular Properties

Compound Namepentyl 3-(3-cyclopentylpropanoylamino)propanoate
PubChem CID91733092
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Namepentyl 3-(3-cyclopentylpropanoylamino)propanoate
SMILESCCCCCOC(=O)CCNC(=O)CCC1CCCC1
InChIInChI=1S/C16H29NO3/c1-2-3-6-13-20-16(19)11-12-17-15(18)10-9-14-7-4-5-8-14/h14H,2-13H2,1H3,(H,17,18)
InChIKeyLNWWNMMMEIYEDE-UHFFFAOYSA-N
XLogP3.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.20
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 pentyl 3-(3-cyclopentylpropanoylamino)propanoate?
The IUPAC name of pentyl 3-(3-cyclopentylpropanoylamino)propanoate (CID 91733092) is pentyl 3-(3-cyclopentylpropanoylamino)propanoate.
What is the SMILES notation for pentyl 3-(3-cyclopentylpropanoylamino)propanoate?
The canonical SMILES for pentyl 3-(3-cyclopentylpropanoylamino)propanoate is CCCCCOC(=O)CCNC(=O)CCC1CCCC1.
What is the InChIKey of pentyl 3-(3-cyclopentylpropanoylamino)propanoate?
The InChIKey is LNWWNMMMEIYEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-2-3-6-13-20-16(19)11-12-17-15(18)10-9-14-7-4-5-8-14/h14H,2-13H2,1H3,(H,17,18).
What are the key properties of pentyl 3-(3-cyclopentylpropanoylamino)propanoate?
pentyl 3-(3-cyclopentylpropanoylamino)propanoate has a molecular weight of 283.41 g/mol, XLogP of 3.20, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 3-(3-cyclopentylpropanoylamino)propanoate is sourced from PubChem (CID 91733092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).