2-[bis(2-hydroxyethyl)amino]ethanol;2-(methylamino)acetic acid

C9H22N2O5 — CID 6455968

IUPAC2-[bis(2-hydroxyethyl)amino]ethanol;2-(methylamino)acetic acid
SMILESCNCC(=O)O.OCCN(CCO)CCO
InChIInChI=1S/C6H15NO3.C3H7NO2/c8-4-1-7(2-5-9)3-6-10;1-4-2-3(5)6/h8-10H,1-6H2;4H,2H2,1H3,(H,5,6)
InChIKeyBEABHZRODBBUAU-UHFFFAOYSA-N
MW238.28 g/mol
LogP-2.44
Rot. Bonds8

About 2-[bis(2-hydroxyethyl)amino]ethanol;2-(methylamino)acetic acid

2-[bis(2-hydroxyethyl)amino]ethanol;2-(methylamino)acetic acid (PubChem CID 6455968) has the molecular formula C9H22N2O5 and a molecular weight of 238.28 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]ethanol;2-(methylamino)acetic acid.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]ethanol;2-(methylamino)acetic acid
PubChem CID6455968
Molecular FormulaC9H22N2O5
Molecular Weight238.28 g/mol
Exact Mass238.15
IUPAC Name2-[bis(2-hydroxyethyl)amino]ethanol;2-(methylamino)acetic acid
SMILESCNCC(=O)O.OCCN(CCO)CCO
InChIInChI=1S/C6H15NO3.C3H7NO2/c8-4-1-7(2-5-9)3-6-10;1-4-2-3(5)6/h8-10H,1-6H2;4H,2H2,1H3,(H,5,6)
InChIKeyBEABHZRODBBUAU-UHFFFAOYSA-N
XLogP-2.44
TPSA113.26 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 5-2.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

CID 5256512
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CID 118109
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CID 88432483
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CID 173767
CID 173767
CID 44151933
CID 44151933
CID 91808922
CID 91808922
CID 6454342
CID 6454342
CID 160070
CID 160070
CID 6454629
CID 6454629
CID 24180695
CID 24180695
CID 139119523
CID 139119523
CID 76418779
CID 76418779

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;2-(methylamino)acetic acid?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;2-(methylamino)acetic acid (CID 6455968) is 2-[bis(2-hydroxyethyl)amino]ethanol;2-(methylamino)acetic acid.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]ethanol;2-(methylamino)acetic acid?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]ethanol;2-(methylamino)acetic acid is CNCC(=O)O.OCCN(CCO)CCO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]ethanol;2-(methylamino)acetic acid?
The InChIKey is BEABHZRODBBUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3.C3H7NO2/c8-4-1-7(2-5-9)3-6-10;1-4-2-3(5)6/h8-10H,1-6H2;4H,2H2,1H3,(H,5,6).
What are the key properties of 2-[bis(2-hydroxyethyl)amino]ethanol;2-(methylamino)acetic acid?
2-[bis(2-hydroxyethyl)amino]ethanol;2-(methylamino)acetic acid has a molecular weight of 238.28 g/mol, XLogP of -2.44, 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;2-(methylamino)acetic acid is sourced from PubChem (CID 6455968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).