bis(2-aminoethyl) butanedioate

C8H16N2O4 — CID 12073124

IUPACbis(2-aminoethyl) butanedioate
SMILESNCCOC(=O)CCC(=O)OCCN
InChIInChI=1S/C8H16N2O4/c9-3-5-13-7(11)1-2-8(12)14-6-4-10/h1-6,9-10H2
InChIKeyMGKSYEIQKWSWPH-UHFFFAOYSA-N
MW204.23 g/mol
LogP-1.23
Rot. Bonds7

About bis(2-aminoethyl) butanedioate

bis(2-aminoethyl) butanedioate (PubChem CID 12073124) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is bis(2-aminoethyl) butanedioate.

Molecular Properties

Compound Namebis(2-aminoethyl) butanedioate
PubChem CID12073124
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Namebis(2-aminoethyl) butanedioate
SMILESNCCOC(=O)CCC(=O)OCCN
InChIInChI=1S/C8H16N2O4/c9-3-5-13-7(11)1-2-8(12)14-6-4-10/h1-6,9-10H2
InChIKeyMGKSYEIQKWSWPH-UHFFFAOYSA-N
XLogP-1.23
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-aminoethyl 4-aminosulfanylbutanoate
CID 57252603
2-aminoethyl 3-cyclopropylpropanoate
CID 174465831
2-aminoethyl propanoate;zinc
CID 175266115
2-hydroxyethyl 3-aminopropanoate
CID 22321350
2-aminoethyl butanoate;bicyclo[2.2.0]hexa-1,3,5-triene
CID 174274663
2-bromoethyl 3-aminopropanoate
CID 15703163
bis(3-aminopropyl) hexadecanedioate
CID 100956713
3-O-(2-aminoethyl) 1-O-methyl propanedioate
CID 57313021
2-aminoethyl propanoate;cyclopropane
CID 174936306
2-aminoethyl 2-(methylamino)acetate
CID 174621897
2-acetyloxyethyl 3-aminopropanoate
CID 22321345
2-aminoethyl 2-hydroxyacetate;N,N-dimethylmethanamine
CID 174615964

Frequently Asked Questions

What is the IUPAC name of bis(2-aminoethyl) butanedioate?
The IUPAC name of bis(2-aminoethyl) butanedioate (CID 12073124) is bis(2-aminoethyl) butanedioate.
What is the SMILES notation for bis(2-aminoethyl) butanedioate?
The canonical SMILES for bis(2-aminoethyl) butanedioate is NCCOC(=O)CCC(=O)OCCN.
What is the InChIKey of bis(2-aminoethyl) butanedioate?
The InChIKey is MGKSYEIQKWSWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4/c9-3-5-13-7(11)1-2-8(12)14-6-4-10/h1-6,9-10H2.
What are the key properties of bis(2-aminoethyl) butanedioate?
bis(2-aminoethyl) butanedioate has a molecular weight of 204.23 g/mol, XLogP of -1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-aminoethyl) butanedioate is sourced from PubChem (CID 12073124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).