2-[bis(2-hydroxyethyl)amino]acetic acid

C6H13NO4 — CID 8761

IUPAC2-[bis(2-hydroxyethyl)amino]acetic acid
SMILESO=C(O)CN(CCO)CCO
InChIInChI=1S/C6H13NO4/c8-3-1-7(2-4-9)5-6(10)11/h8-9H,1-5H2,(H,10,11)
InChIKeyFSVCELGFZIQNCK-UHFFFAOYSA-N
MW163.17 g/mol
LogP-1.64
Rot. Bonds6

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

2-[bis(2-hydroxyethyl)amino]acetic acid (PubChem CID 8761) has the molecular formula C6H13NO4 and a molecular weight of 163.17 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]acetic acid
PubChem CID8761
Molecular FormulaC6H13NO4
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name2-[bis(2-hydroxyethyl)amino]acetic acid
SMILESO=C(O)CN(CCO)CCO
InChIInChI=1S/C6H13NO4/c8-3-1-7(2-4-9)5-6(10)11/h8-9H,1-5H2,(H,10,11)
InChIKeyFSVCELGFZIQNCK-UHFFFAOYSA-N
XLogP-1.64
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 5-1.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Nitrilotriacetic Acid
CID 8758
Hydroxyethylethylenediaminetriacetic acid
CID 8773
Trisodium N-hydroxyethylethylenediaminetriacetate
CID 8772
Cobaltous nitrilotriacetate
CID 40619
(2-Hydroxyethyl)iminodiacetic acid
CID 7152
Cuprate(1-), (N,N-bis((carboxy-kappaO)methyl)glycinato(3-)-kappaN,kappaO)-, hydrogen (1:1), (T-4)-
CID 36938
Nickel nitrilotriacetate
CID 36939
Cadmium nitrilotriacetate
CID 39527
Zinc nitrilotriacetate
CID 40621
Ferrous nitrilotriacetate
CID 50163
Sodium nitriloacetate
CID 23674482
N-methyliminodiacetic acid
CID 20441

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]acetic acid?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]acetic acid (CID 8761) is 2-[bis(2-hydroxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]acetic acid?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]acetic acid is O=C(O)CN(CCO)CCO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]acetic acid?
The InChIKey is FSVCELGFZIQNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4/c8-3-1-7(2-4-9)5-6(10)11/h8-9H,1-5H2,(H,10,11).
What are the key properties of 2-[bis(2-hydroxyethyl)amino]acetic acid?
2-[bis(2-hydroxyethyl)amino]acetic acid has a molecular weight of 163.17 g/mol, XLogP of -1.64, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]acetic acid is sourced from PubChem (CID 8761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).