[bis(1-hydroxyethyl)amino] acetate

C6H13NO4 — CID 57208315

IUPAC[bis(1-hydroxyethyl)amino] acetate
SMILESCC(=O)ON(C(C)O)C(C)O
InChIInChI=1S/C6H13NO4/c1-4(8)7(5(2)9)11-6(3)10/h4-5,8-9H,1-3H3
InChIKeyHFLYGMLOCROVCW-UHFFFAOYSA-N
MW163.17 g/mol
LogP-0.56
Rot. Bonds3

About [bis(1-hydroxyethyl)amino] acetate

[bis(1-hydroxyethyl)amino] acetate (PubChem CID 57208315) has the molecular formula C6H13NO4 and a molecular weight of 163.17 g/mol. Its IUPAC name is [bis(1-hydroxyethyl)amino] acetate.

Molecular Properties

Compound Name[bis(1-hydroxyethyl)amino] acetate
PubChem CID57208315
Molecular FormulaC6H13NO4
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name[bis(1-hydroxyethyl)amino] acetate
SMILESCC(=O)ON(C(C)O)C(C)O
InChIInChI=1S/C6H13NO4/c1-4(8)7(5(2)9)11-6(3)10/h4-5,8-9H,1-3H3
InChIKeyHFLYGMLOCROVCW-UHFFFAOYSA-N
XLogP-0.56
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[bis(1-hydroxyethyl)amino] hydrogen carbonate
CID 57058437
[bis(1-hydroxyethyl)amino] 2-hydroxypropanoate
CID 87220172
CID 159425404
CID 159425404
(diacetyloxyamino) acetate;iron
CID 174751012
alumane;(dihydroxyamino) acetate
CID 174458216
acetyl acetate;bis(propan-2-ol);titanium(2+)
CID 87402276
acetyloxy(hydroxy)carbamic acid
CID 154281940
[acetyloxy-[2-(diacetyloxyamino)ethyl]amino] acetate;azane
CID 173013590
ethyl acetate;bis(propan-2-ol)
CID 87186921
2-chloropropane;methyl acetate
CID 157293612
triacetyloxy(hydroxy)phosphanium
CID 177255462
[bis(1-hydroxyethyl)amino]oxy-methoxy-oxophosphanium
CID 57227498

Frequently Asked Questions

What is the IUPAC name of [bis(1-hydroxyethyl)amino] acetate?
The IUPAC name of [bis(1-hydroxyethyl)amino] acetate (CID 57208315) is [bis(1-hydroxyethyl)amino] acetate.
What is the SMILES notation for [bis(1-hydroxyethyl)amino] acetate?
The canonical SMILES for [bis(1-hydroxyethyl)amino] acetate is CC(=O)ON(C(C)O)C(C)O.
What is the InChIKey of [bis(1-hydroxyethyl)amino] acetate?
The InChIKey is HFLYGMLOCROVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4/c1-4(8)7(5(2)9)11-6(3)10/h4-5,8-9H,1-3H3.
What are the key properties of [bis(1-hydroxyethyl)amino] acetate?
[bis(1-hydroxyethyl)amino] acetate has a molecular weight of 163.17 g/mol, XLogP of -0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(1-hydroxyethyl)amino] acetate is sourced from PubChem (CID 57208315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).