decyl 2-(ethoxycarbonylamino)propanoate

C16H31NO4 — CID 6422314

IUPACdecyl 2-(ethoxycarbonylamino)propanoate
SMILESCCCCCCCCCCOC(=O)C(C)NC(=O)OCC
InChIInChI=1S/C16H31NO4/c1-4-6-7-8-9-10-11-12-13-21-15(18)14(3)17-16(19)20-5-2/h14H,4-13H2,1-3H3,(H,17,19)
InChIKeyGMKHTYNIFVYJGP-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.80
Rot. Bonds12

About decyl 2-(ethoxycarbonylamino)propanoate

decyl 2-(ethoxycarbonylamino)propanoate (PubChem CID 6422314) has the molecular formula C16H31NO4 and a molecular weight of 301.43 g/mol. Its IUPAC name is decyl 2-(ethoxycarbonylamino)propanoate.

Molecular Properties

Compound Namedecyl 2-(ethoxycarbonylamino)propanoate
PubChem CID6422314
Molecular FormulaC16H31NO4
Molecular Weight301.43 g/mol
Exact Mass301.23
IUPAC Namedecyl 2-(ethoxycarbonylamino)propanoate
SMILESCCCCCCCCCCOC(=O)C(C)NC(=O)OCC
InChIInChI=1S/C16H31NO4/c1-4-6-7-8-9-10-11-12-13-21-15(18)14(3)17-16(19)20-5-2/h14H,4-13H2,1-3H3,(H,17,19)
InChIKeyGMKHTYNIFVYJGP-UHFFFAOYSA-N
XLogP3.80
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 decyl 2-(ethoxycarbonylamino)propanoate?
The IUPAC name of decyl 2-(ethoxycarbonylamino)propanoate (CID 6422314) is decyl 2-(ethoxycarbonylamino)propanoate.
What is the SMILES notation for decyl 2-(ethoxycarbonylamino)propanoate?
The canonical SMILES for decyl 2-(ethoxycarbonylamino)propanoate is CCCCCCCCCCOC(=O)C(C)NC(=O)OCC.
What is the InChIKey of decyl 2-(ethoxycarbonylamino)propanoate?
The InChIKey is GMKHTYNIFVYJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO4/c1-4-6-7-8-9-10-11-12-13-21-15(18)14(3)17-16(19)20-5-2/h14H,4-13H2,1-3H3,(H,17,19).
What are the key properties of decyl 2-(ethoxycarbonylamino)propanoate?
decyl 2-(ethoxycarbonylamino)propanoate has a molecular weight of 301.43 g/mol, XLogP of 3.80, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 2-(ethoxycarbonylamino)propanoate is sourced from PubChem (CID 6422314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).