2-[bis(2-hydroxyethyl)amino]ethanol;bis(prop-2-enoic acid)

C12H23NO7 — CID 22459494

IUPAC2-[bis(2-hydroxyethyl)amino]ethanol;bis(prop-2-enoic acid)
SMILESC=CC(=O)O.C=CC(=O)O.OCCN(CCO)CCO
InChIInChI=1S/C6H15NO3.2C3H4O2/c8-4-1-7(2-5-9)3-6-10;2*1-2-3(4)5/h8-10H,1-6H2;2*2H,1H2,(H,4,5)
InChIKeyYDUHWMJLHNNZMR-UHFFFAOYSA-N
MW293.32 g/mol
LogP-1.22
Rot. Bonds8

About 2-[bis(2-hydroxyethyl)amino]ethanol;bis(prop-2-enoic acid)

2-[bis(2-hydroxyethyl)amino]ethanol;bis(prop-2-enoic acid) (PubChem CID 22459494) has the molecular formula C12H23NO7 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]ethanol;bis(prop-2-enoic acid).

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]ethanol;bis(prop-2-enoic acid)
PubChem CID22459494
Molecular FormulaC12H23NO7
Molecular Weight293.32 g/mol
Exact Mass293.15
IUPAC Name2-[bis(2-hydroxyethyl)amino]ethanol;bis(prop-2-enoic acid)
SMILESC=CC(=O)O.C=CC(=O)O.OCCN(CCO)CCO
InChIInChI=1S/C6H15NO3.2C3H4O2/c8-4-1-7(2-5-9)3-6-10;2*1-2-3(4)5/h8-10H,1-6H2;2*2H,1H2,(H,4,5)
InChIKeyYDUHWMJLHNNZMR-UHFFFAOYSA-N
XLogP-1.22
TPSA138.53 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 5-1.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;bis(prop-2-enoic acid)?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;bis(prop-2-enoic acid) (CID 22459494) is 2-[bis(2-hydroxyethyl)amino]ethanol;bis(prop-2-enoic acid).
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]ethanol;bis(prop-2-enoic acid)?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]ethanol;bis(prop-2-enoic acid) is C=CC(=O)O.C=CC(=O)O.OCCN(CCO)CCO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]ethanol;bis(prop-2-enoic acid)?
The InChIKey is YDUHWMJLHNNZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3.2C3H4O2/c8-4-1-7(2-5-9)3-6-10;2*1-2-3(4)5/h8-10H,1-6H2;2*2H,1H2,(H,4,5).
What are the key properties of 2-[bis(2-hydroxyethyl)amino]ethanol;bis(prop-2-enoic acid)?
2-[bis(2-hydroxyethyl)amino]ethanol;bis(prop-2-enoic acid) has a molecular weight of 293.32 g/mol, XLogP of -1.22, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]ethanol;bis(prop-2-enoic acid) is sourced from PubChem (CID 22459494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).