propyl 2-[methyl(propoxycarbonyl)amino]propanoate

C11H21NO4 — CID 91718691

IUPACpropyl 2-[methyl(propoxycarbonyl)amino]propanoate
SMILESCCCOC(=O)C(C)N(C)C(=O)OCCC
InChIInChI=1S/C11H21NO4/c1-5-7-15-10(13)9(3)12(4)11(14)16-8-6-2/h9H,5-8H2,1-4H3
InChIKeyAZXDXUDAEUJPQW-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.81
Rot. Bonds6

About propyl 2-[methyl(propoxycarbonyl)amino]propanoate

propyl 2-[methyl(propoxycarbonyl)amino]propanoate (PubChem CID 91718691) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is propyl 2-[methyl(propoxycarbonyl)amino]propanoate.

Molecular Properties

Compound Namepropyl 2-[methyl(propoxycarbonyl)amino]propanoate
PubChem CID91718691
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Namepropyl 2-[methyl(propoxycarbonyl)amino]propanoate
SMILESCCCOC(=O)C(C)N(C)C(=O)OCCC
InChIInChI=1S/C11H21NO4/c1-5-7-15-10(13)9(3)12(4)11(14)16-8-6-2/h9H,5-8H2,1-4H3
InChIKeyAZXDXUDAEUJPQW-UHFFFAOYSA-N
XLogP1.81
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl 2-[methyl(propoxycarbonyl)amino]propanoate?
The IUPAC name of propyl 2-[methyl(propoxycarbonyl)amino]propanoate (CID 91718691) is propyl 2-[methyl(propoxycarbonyl)amino]propanoate.
What is the SMILES notation for propyl 2-[methyl(propoxycarbonyl)amino]propanoate?
The canonical SMILES for propyl 2-[methyl(propoxycarbonyl)amino]propanoate is CCCOC(=O)C(C)N(C)C(=O)OCCC.
What is the InChIKey of propyl 2-[methyl(propoxycarbonyl)amino]propanoate?
The InChIKey is AZXDXUDAEUJPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-5-7-15-10(13)9(3)12(4)11(14)16-8-6-2/h9H,5-8H2,1-4H3.
What are the key properties of propyl 2-[methyl(propoxycarbonyl)amino]propanoate?
propyl 2-[methyl(propoxycarbonyl)amino]propanoate has a molecular weight of 231.29 g/mol, XLogP of 1.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[methyl(propoxycarbonyl)amino]propanoate is sourced from PubChem (CID 91718691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).