dimethyl 2-(2-aminoethylamino)butanedioate

C8H16N2O4 — CID 11229475

IUPACdimethyl 2-(2-aminoethylamino)butanedioate
SMILESCOC(=O)CC(NCCN)C(=O)OC
InChIInChI=1S/C8H16N2O4/c1-13-7(11)5-6(8(12)14-2)10-4-3-9/h6,10H,3-5,9H2,1-2H3
InChIKeyPYEIWBQIYDYUQW-UHFFFAOYSA-N
MW204.23 g/mol
LogP-1.36
Rot. Bonds6

About dimethyl 2-(2-aminoethylamino)butanedioate

dimethyl 2-(2-aminoethylamino)butanedioate (PubChem CID 11229475) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is dimethyl 2-(2-aminoethylamino)butanedioate.

Molecular Properties

Compound Namedimethyl 2-(2-aminoethylamino)butanedioate
PubChem CID11229475
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Namedimethyl 2-(2-aminoethylamino)butanedioate
SMILESCOC(=O)CC(NCCN)C(=O)OC
InChIInChI=1S/C8H16N2O4/c1-13-7(11)5-6(8(12)14-2)10-4-3-9/h6,10H,3-5,9H2,1-2H3
InChIKeyPYEIWBQIYDYUQW-UHFFFAOYSA-N
XLogP-1.36
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(2-aminoethylamino)butanedioate?
The IUPAC name of dimethyl 2-(2-aminoethylamino)butanedioate (CID 11229475) is dimethyl 2-(2-aminoethylamino)butanedioate.
What is the SMILES notation for dimethyl 2-(2-aminoethylamino)butanedioate?
The canonical SMILES for dimethyl 2-(2-aminoethylamino)butanedioate is COC(=O)CC(NCCN)C(=O)OC.
What is the InChIKey of dimethyl 2-(2-aminoethylamino)butanedioate?
The InChIKey is PYEIWBQIYDYUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-13-7(11)5-6(8(12)14-2)10-4-3-9/h6,10H,3-5,9H2,1-2H3.
What are the key properties of dimethyl 2-(2-aminoethylamino)butanedioate?
dimethyl 2-(2-aminoethylamino)butanedioate has a molecular weight of 204.23 g/mol, XLogP of -1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(2-aminoethylamino)butanedioate is sourced from PubChem (CID 11229475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).