2-aminoethyl 2-(2-hydroxyethylamino)acetate

C6H14N2O3 — CID 87170566

IUPAC2-aminoethyl 2-(2-hydroxyethylamino)acetate
SMILESNCCOC(=O)CNCCO
InChIInChI=1S/C6H14N2O3/c7-1-4-11-6(10)5-8-2-3-9/h8-9H,1-5,7H2
InChIKeyMXLDRRVYFIERJL-UHFFFAOYSA-N
MW162.19 g/mol
LogP-1.93
Rot. Bonds6

About 2-aminoethyl 2-(2-hydroxyethylamino)acetate

2-aminoethyl 2-(2-hydroxyethylamino)acetate (PubChem CID 87170566) has the molecular formula C6H14N2O3 and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-aminoethyl 2-(2-hydroxyethylamino)acetate.

Molecular Properties

Compound Name2-aminoethyl 2-(2-hydroxyethylamino)acetate
PubChem CID87170566
Molecular FormulaC6H14N2O3
Molecular Weight162.19 g/mol
Exact Mass162.10
IUPAC Name2-aminoethyl 2-(2-hydroxyethylamino)acetate
SMILESNCCOC(=O)CNCCO
InChIInChI=1S/C6H14N2O3/c7-1-4-11-6(10)5-8-2-3-9/h8-9H,1-5,7H2
InChIKeyMXLDRRVYFIERJL-UHFFFAOYSA-N
XLogP-1.93
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 5-1.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-Hydroxyethyl)glycine
CID 225935
[Bis(2-hydroxyethyl)ammonio]acetate
CID 5256512
Ethyl 2-(ethylamino)acetate
CID 12591597
Methyl 2-[(2-methoxyethyl)amino]acetate
CID 28565694
Ethyl 2-[(2-methoxyethyl)amino]acetate
CID 15818815
2-((2-Ethoxy-2-oxoethyl)amino)acetic acid hydrochloride
CID 154878719
(2-Ethoxy-2-oxoethyl)glycine
CID 14094492
Ethanol, 2-((2-(acetyloxy)ethyl)amino)-
CID 170749
2-[(2-Methoxyethyl)amino]acetic acid hydrochloride
CID 54593531
Ethyl 2-(2-aminoethylamino)acetate
CID 7020794
2-[(2-Methoxyethyl)amino]acetic acid
CID 9964102
Diethanolamine glycinate
CID 20468935

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl 2-(2-hydroxyethylamino)acetate?
The IUPAC name of 2-aminoethyl 2-(2-hydroxyethylamino)acetate (CID 87170566) is 2-aminoethyl 2-(2-hydroxyethylamino)acetate.
What is the SMILES notation for 2-aminoethyl 2-(2-hydroxyethylamino)acetate?
The canonical SMILES for 2-aminoethyl 2-(2-hydroxyethylamino)acetate is NCCOC(=O)CNCCO.
What is the InChIKey of 2-aminoethyl 2-(2-hydroxyethylamino)acetate?
The InChIKey is MXLDRRVYFIERJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3/c7-1-4-11-6(10)5-8-2-3-9/h8-9H,1-5,7H2.
What are the key properties of 2-aminoethyl 2-(2-hydroxyethylamino)acetate?
2-aminoethyl 2-(2-hydroxyethylamino)acetate has a molecular weight of 162.19 g/mol, XLogP of -1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl 2-(2-hydroxyethylamino)acetate is sourced from PubChem (CID 87170566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).