methyl 5-(tridecanoylamino)pentanoate

C19H37NO3 — CID 101398460

IUPACmethyl 5-(tridecanoylamino)pentanoate
SMILESCCCCCCCCCCCCC(=O)NCCCCC(=O)OC
InChIInChI=1S/C19H37NO3/c1-3-4-5-6-7-8-9-10-11-12-15-18(21)20-17-14-13-16-19(22)23-2/h3-17H2,1-2H3,(H,20,21)
InChIKeyQKLWGEDOVLLZAP-UHFFFAOYSA-N
MW327.51 g/mol
LogP4.76
Rot. Bonds16

About methyl 5-(tridecanoylamino)pentanoate

methyl 5-(tridecanoylamino)pentanoate (PubChem CID 101398460) has the molecular formula C19H37NO3 and a molecular weight of 327.51 g/mol. Its IUPAC name is methyl 5-(tridecanoylamino)pentanoate.

Molecular Properties

Compound Namemethyl 5-(tridecanoylamino)pentanoate
PubChem CID101398460
Molecular FormulaC19H37NO3
Molecular Weight327.51 g/mol
Exact Mass327.28
IUPAC Namemethyl 5-(tridecanoylamino)pentanoate
SMILESCCCCCCCCCCCCC(=O)NCCCCC(=O)OC
InChIInChI=1S/C19H37NO3/c1-3-4-5-6-7-8-9-10-11-12-15-18(21)20-17-14-13-16-19(22)23-2/h3-17H2,1-2H3,(H,20,21)
InChIKeyQKLWGEDOVLLZAP-UHFFFAOYSA-N
XLogP4.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.51
LogP ≤ 54.76
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 methyl 5-(tridecanoylamino)pentanoate?
The IUPAC name of methyl 5-(tridecanoylamino)pentanoate (CID 101398460) is methyl 5-(tridecanoylamino)pentanoate.
What is the SMILES notation for methyl 5-(tridecanoylamino)pentanoate?
The canonical SMILES for methyl 5-(tridecanoylamino)pentanoate is CCCCCCCCCCCCC(=O)NCCCCC(=O)OC.
What is the InChIKey of methyl 5-(tridecanoylamino)pentanoate?
The InChIKey is QKLWGEDOVLLZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO3/c1-3-4-5-6-7-8-9-10-11-12-15-18(21)20-17-14-13-16-19(22)23-2/h3-17H2,1-2H3,(H,20,21).
What are the key properties of methyl 5-(tridecanoylamino)pentanoate?
methyl 5-(tridecanoylamino)pentanoate has a molecular weight of 327.51 g/mol, XLogP of 4.76, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(tridecanoylamino)pentanoate is sourced from PubChem (CID 101398460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).