diethyl 2-amino-2-(2-methylpropyl)butanedioate

C12H23NO4 — CID 87758296

IUPACdiethyl 2-amino-2-(2-methylpropyl)butanedioate
SMILESCCOC(=O)CC(N)(CC(C)C)C(=O)OCC
InChIInChI=1S/C12H23NO4/c1-5-16-10(14)8-12(13,7-9(3)4)11(15)17-6-2/h9H,5-8,13H2,1-4H3
InChIKeyDLGBWFDJNXSAOC-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.25
Rot. Bonds7

About diethyl 2-amino-2-(2-methylpropyl)butanedioate

diethyl 2-amino-2-(2-methylpropyl)butanedioate (PubChem CID 87758296) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is diethyl 2-amino-2-(2-methylpropyl)butanedioate.

Molecular Properties

Compound Namediethyl 2-amino-2-(2-methylpropyl)butanedioate
PubChem CID87758296
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Namediethyl 2-amino-2-(2-methylpropyl)butanedioate
SMILESCCOC(=O)CC(N)(CC(C)C)C(=O)OCC
InChIInChI=1S/C12H23NO4/c1-5-16-10(14)8-12(13,7-9(3)4)11(15)17-6-2/h9H,5-8,13H2,1-4H3
InChIKeyDLGBWFDJNXSAOC-UHFFFAOYSA-N
XLogP1.25
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-amino-2-(2-methylpropyl)butanedioate?
The IUPAC name of diethyl 2-amino-2-(2-methylpropyl)butanedioate (CID 87758296) is diethyl 2-amino-2-(2-methylpropyl)butanedioate.
What is the SMILES notation for diethyl 2-amino-2-(2-methylpropyl)butanedioate?
The canonical SMILES for diethyl 2-amino-2-(2-methylpropyl)butanedioate is CCOC(=O)CC(N)(CC(C)C)C(=O)OCC.
What is the InChIKey of diethyl 2-amino-2-(2-methylpropyl)butanedioate?
The InChIKey is DLGBWFDJNXSAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-5-16-10(14)8-12(13,7-9(3)4)11(15)17-6-2/h9H,5-8,13H2,1-4H3.
What are the key properties of diethyl 2-amino-2-(2-methylpropyl)butanedioate?
diethyl 2-amino-2-(2-methylpropyl)butanedioate has a molecular weight of 245.32 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-amino-2-(2-methylpropyl)butanedioate is sourced from PubChem (CID 87758296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).