propyl 2-(ethoxycarbonylamino)pentanoate

C11H21NO4 — CID 91718575

IUPACpropyl 2-(ethoxycarbonylamino)pentanoate
SMILESCCCOC(=O)C(CCC)NC(=O)OCC
InChIInChI=1S/C11H21NO4/c1-4-7-9(10(13)16-8-5-2)12-11(14)15-6-3/h9H,4-8H2,1-3H3,(H,12,14)
InChIKeyXVBYPLJRSZCTCO-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.85
Rot. Bonds7

About propyl 2-(ethoxycarbonylamino)pentanoate

propyl 2-(ethoxycarbonylamino)pentanoate (PubChem CID 91718575) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is propyl 2-(ethoxycarbonylamino)pentanoate.

Molecular Properties

Compound Namepropyl 2-(ethoxycarbonylamino)pentanoate
PubChem CID91718575
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Namepropyl 2-(ethoxycarbonylamino)pentanoate
SMILESCCCOC(=O)C(CCC)NC(=O)OCC
InChIInChI=1S/C11H21NO4/c1-4-7-9(10(13)16-8-5-2)12-11(14)15-6-3/h9H,4-8H2,1-3H3,(H,12,14)
InChIKeyXVBYPLJRSZCTCO-UHFFFAOYSA-N
XLogP1.85
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze propyl 2-(ethoxycarbonylamino)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-(ethoxycarbonylamino)pentanoate?
The IUPAC name of propyl 2-(ethoxycarbonylamino)pentanoate (CID 91718575) is propyl 2-(ethoxycarbonylamino)pentanoate.
What is the SMILES notation for propyl 2-(ethoxycarbonylamino)pentanoate?
The canonical SMILES for propyl 2-(ethoxycarbonylamino)pentanoate is CCCOC(=O)C(CCC)NC(=O)OCC.
What is the InChIKey of propyl 2-(ethoxycarbonylamino)pentanoate?
The InChIKey is XVBYPLJRSZCTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-4-7-9(10(13)16-8-5-2)12-11(14)15-6-3/h9H,4-8H2,1-3H3,(H,12,14).
What are the key properties of propyl 2-(ethoxycarbonylamino)pentanoate?
propyl 2-(ethoxycarbonylamino)pentanoate has a molecular weight of 231.29 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(ethoxycarbonylamino)pentanoate is sourced from PubChem (CID 91718575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).