tridecyl 2-(ethoxycarbonylamino)propanoate

C19H37NO4 — CID 6422316

IUPACtridecyl 2-(ethoxycarbonylamino)propanoate
SMILESCCCCCCCCCCCCCOC(=O)C(C)NC(=O)OCC
InChIInChI=1S/C19H37NO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-24-18(21)17(3)20-19(22)23-5-2/h17H,4-16H2,1-3H3,(H,20,22)
InChIKeyWMDYZDVTHXVWPA-UHFFFAOYSA-N
MW343.51 g/mol
LogP4.98
Rot. Bonds15

About tridecyl 2-(ethoxycarbonylamino)propanoate

tridecyl 2-(ethoxycarbonylamino)propanoate (PubChem CID 6422316) has the molecular formula C19H37NO4 and a molecular weight of 343.51 g/mol. Its IUPAC name is tridecyl 2-(ethoxycarbonylamino)propanoate.

Molecular Properties

Compound Nametridecyl 2-(ethoxycarbonylamino)propanoate
PubChem CID6422316
Molecular FormulaC19H37NO4
Molecular Weight343.51 g/mol
Exact Mass343.27
IUPAC Nametridecyl 2-(ethoxycarbonylamino)propanoate
SMILESCCCCCCCCCCCCCOC(=O)C(C)NC(=O)OCC
InChIInChI=1S/C19H37NO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-24-18(21)17(3)20-19(22)23-5-2/h17H,4-16H2,1-3H3,(H,20,22)
InChIKeyWMDYZDVTHXVWPA-UHFFFAOYSA-N
XLogP4.98
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tridecyl 2-(ethoxycarbonylamino)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tridecyl 2-(ethoxycarbonylamino)propanoate?
The IUPAC name of tridecyl 2-(ethoxycarbonylamino)propanoate (CID 6422316) is tridecyl 2-(ethoxycarbonylamino)propanoate.
What is the SMILES notation for tridecyl 2-(ethoxycarbonylamino)propanoate?
The canonical SMILES for tridecyl 2-(ethoxycarbonylamino)propanoate is CCCCCCCCCCCCCOC(=O)C(C)NC(=O)OCC.
What is the InChIKey of tridecyl 2-(ethoxycarbonylamino)propanoate?
The InChIKey is WMDYZDVTHXVWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-24-18(21)17(3)20-19(22)23-5-2/h17H,4-16H2,1-3H3,(H,20,22).
What are the key properties of tridecyl 2-(ethoxycarbonylamino)propanoate?
tridecyl 2-(ethoxycarbonylamino)propanoate has a molecular weight of 343.51 g/mol, XLogP of 4.98, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tridecyl 2-(ethoxycarbonylamino)propanoate is sourced from PubChem (CID 6422316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).