2-[bis(2-hydroxyethyl)amino]acetic acid;1,4-bis(2-hydroxyethyl)piperazine-2,5-dione

C14H27N3O8 — CID 175173145

IUPAC2-[bis(2-hydroxyethyl)amino]acetic acid;1,4-bis(2-hydroxyethyl)piperazine-2,5-dione
SMILESO=C(O)CN(CCO)CCO.O=C1CN(CCO)C(=O)CN1CCO
InChIInChI=1S/C8H14N2O4.C6H13NO4/c11-3-1-9-5-8(14)10(2-4-12)6-7(9)13;8-3-1-7(2-4-9)5-6(10)11/h11-12H,1-6H2;8-9H,1-5H2,(H,10,11)
InChIKeyZWTREQPUYQBOKG-UHFFFAOYSA-N
MW365.38 g/mol
LogP-4.00
Rot. Bonds10

About 2-[bis(2-hydroxyethyl)amino]acetic acid;1,4-bis(2-hydroxyethyl)piperazine-2,5-dione

2-[bis(2-hydroxyethyl)amino]acetic acid;1,4-bis(2-hydroxyethyl)piperazine-2,5-dione (PubChem CID 175173145) has the molecular formula C14H27N3O8 and a molecular weight of 365.38 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]acetic acid;1,4-bis(2-hydroxyethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]acetic acid;1,4-bis(2-hydroxyethyl)piperazine-2,5-dione
PubChem CID175173145
Molecular FormulaC14H27N3O8
Molecular Weight365.38 g/mol
Exact Mass365.18
IUPAC Name2-[bis(2-hydroxyethyl)amino]acetic acid;1,4-bis(2-hydroxyethyl)piperazine-2,5-dione
SMILESO=C(O)CN(CCO)CCO.O=C1CN(CCO)C(=O)CN1CCO
InChIInChI=1S/C8H14N2O4.C6H13NO4/c11-3-1-9-5-8(14)10(2-4-12)6-7(9)13;8-3-1-7(2-4-9)5-6(10)11/h11-12H,1-6H2;8-9H,1-5H2,(H,10,11)
InChIKeyZWTREQPUYQBOKG-UHFFFAOYSA-N
XLogP-4.00
TPSA162.08 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 5-4.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 2-[bis(2-hydroxyethyl)amino]acetic acid;1,4-bis(2-hydroxyethyl)piperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]acetic acid;1,4-bis(2-hydroxyethyl)piperazine-2,5-dione?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]acetic acid;1,4-bis(2-hydroxyethyl)piperazine-2,5-dione (CID 175173145) is 2-[bis(2-hydroxyethyl)amino]acetic acid;1,4-bis(2-hydroxyethyl)piperazine-2,5-dione.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]acetic acid;1,4-bis(2-hydroxyethyl)piperazine-2,5-dione?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]acetic acid;1,4-bis(2-hydroxyethyl)piperazine-2,5-dione is O=C(O)CN(CCO)CCO.O=C1CN(CCO)C(=O)CN1CCO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]acetic acid;1,4-bis(2-hydroxyethyl)piperazine-2,5-dione?
The InChIKey is ZWTREQPUYQBOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4.C6H13NO4/c11-3-1-9-5-8(14)10(2-4-12)6-7(9)13;8-3-1-7(2-4-9)5-6(10)11/h11-12H,1-6H2;8-9H,1-5H2,(H,10,11).
What are the key properties of 2-[bis(2-hydroxyethyl)amino]acetic acid;1,4-bis(2-hydroxyethyl)piperazine-2,5-dione?
2-[bis(2-hydroxyethyl)amino]acetic acid;1,4-bis(2-hydroxyethyl)piperazine-2,5-dione has a molecular weight of 365.38 g/mol, XLogP of -4.00, 10 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]acetic acid;1,4-bis(2-hydroxyethyl)piperazine-2,5-dione is sourced from PubChem (CID 175173145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).