ethyl 2-[ethoxycarbonyl(propan-2-yl)amino]propanoate

C11H21NO4 — CID 175194791

IUPACethyl 2-[ethoxycarbonyl(propan-2-yl)amino]propanoate
SMILESCCOC(=O)C(C)N(C(=O)OCC)C(C)C
InChIInChI=1S/C11H21NO4/c1-6-15-10(13)9(5)12(8(3)4)11(14)16-7-2/h8-9H,6-7H2,1-5H3
InChIKeyPYZOQYMHYXDTRX-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.80
Rot. Bonds5

About ethyl 2-[ethoxycarbonyl(propan-2-yl)amino]propanoate

ethyl 2-[ethoxycarbonyl(propan-2-yl)amino]propanoate (PubChem CID 175194791) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is ethyl 2-[ethoxycarbonyl(propan-2-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[ethoxycarbonyl(propan-2-yl)amino]propanoate
PubChem CID175194791
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Nameethyl 2-[ethoxycarbonyl(propan-2-yl)amino]propanoate
SMILESCCOC(=O)C(C)N(C(=O)OCC)C(C)C
InChIInChI=1S/C11H21NO4/c1-6-15-10(13)9(5)12(8(3)4)11(14)16-7-2/h8-9H,6-7H2,1-5H3
InChIKeyPYZOQYMHYXDTRX-UHFFFAOYSA-N
XLogP1.80
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethoxycarbonyl(propan-2-yl)amino]propanoate?
The IUPAC name of ethyl 2-[ethoxycarbonyl(propan-2-yl)amino]propanoate (CID 175194791) is ethyl 2-[ethoxycarbonyl(propan-2-yl)amino]propanoate.
What is the SMILES notation for ethyl 2-[ethoxycarbonyl(propan-2-yl)amino]propanoate?
The canonical SMILES for ethyl 2-[ethoxycarbonyl(propan-2-yl)amino]propanoate is CCOC(=O)C(C)N(C(=O)OCC)C(C)C.
What is the InChIKey of ethyl 2-[ethoxycarbonyl(propan-2-yl)amino]propanoate?
The InChIKey is PYZOQYMHYXDTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-6-15-10(13)9(5)12(8(3)4)11(14)16-7-2/h8-9H,6-7H2,1-5H3.
What are the key properties of ethyl 2-[ethoxycarbonyl(propan-2-yl)amino]propanoate?
ethyl 2-[ethoxycarbonyl(propan-2-yl)amino]propanoate has a molecular weight of 231.29 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethoxycarbonyl(propan-2-yl)amino]propanoate is sourced from PubChem (CID 175194791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).