propyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate

C16H30N2O5 — CID 91718577

IUPACpropyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate
SMILESCCCOC(=O)C(CCC)NC(=O)C(CCC)NC(=O)OCC
InChIInChI=1S/C16H30N2O5/c1-5-9-12(18-16(21)22-8-4)14(19)17-13(10-6-2)15(20)23-11-7-3/h12-13H,5-11H2,1-4H3,(H,17,19)(H,18,21)
InChIKeySSMHEVCSWIGLLR-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.14
Rot. Bonds11

About propyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate

propyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate (PubChem CID 91718577) has the molecular formula C16H30N2O5 and a molecular weight of 330.43 g/mol. Its IUPAC name is propyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate.

Molecular Properties

Compound Namepropyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate
PubChem CID91718577
Molecular FormulaC16H30N2O5
Molecular Weight330.43 g/mol
Exact Mass330.22
IUPAC Namepropyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate
SMILESCCCOC(=O)C(CCC)NC(=O)C(CCC)NC(=O)OCC
InChIInChI=1S/C16H30N2O5/c1-5-9-12(18-16(21)22-8-4)14(19)17-13(10-6-2)15(20)23-11-7-3/h12-13H,5-11H2,1-4H3,(H,17,19)(H,18,21)
InChIKeySSMHEVCSWIGLLR-UHFFFAOYSA-N
XLogP2.14
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze propyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate 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 propyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate?
The IUPAC name of propyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate (CID 91718577) is propyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate.
What is the SMILES notation for propyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate?
The canonical SMILES for propyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate is CCCOC(=O)C(CCC)NC(=O)C(CCC)NC(=O)OCC.
What is the InChIKey of propyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate?
The InChIKey is SSMHEVCSWIGLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O5/c1-5-9-12(18-16(21)22-8-4)14(19)17-13(10-6-2)15(20)23-11-7-3/h12-13H,5-11H2,1-4H3,(H,17,19)(H,18,21).
What are the key properties of propyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate?
propyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate has a molecular weight of 330.43 g/mol, XLogP of 2.14, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[2-(ethoxycarbonylamino)pentanoylamino]pentanoate is sourced from PubChem (CID 91718577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).