[2-[bis(2-hydroxyethyl)amino]acetyl] 2-aminoacetate

C8H16N2O5 — CID 91188570

IUPAC[2-[bis(2-hydroxyethyl)amino]acetyl] 2-aminoacetate
SMILESNCC(=O)OC(=O)CN(CCO)CCO
InChIInChI=1S/C8H16N2O5/c9-5-7(13)15-8(14)6-10(1-3-11)2-4-12/h11-12H,1-6,9H2
InChIKeyWXRSADPMLVYMBK-UHFFFAOYSA-N
MW220.22 g/mol
LogP-2.70
Rot. Bonds7

About [2-[bis(2-hydroxyethyl)amino]acetyl] 2-aminoacetate

[2-[bis(2-hydroxyethyl)amino]acetyl] 2-aminoacetate (PubChem CID 91188570) has the molecular formula C8H16N2O5 and a molecular weight of 220.22 g/mol. Its IUPAC name is [2-[bis(2-hydroxyethyl)amino]acetyl] 2-aminoacetate.

Molecular Properties

Compound Name[2-[bis(2-hydroxyethyl)amino]acetyl] 2-aminoacetate
PubChem CID91188570
Molecular FormulaC8H16N2O5
Molecular Weight220.22 g/mol
Exact Mass220.11
IUPAC Name[2-[bis(2-hydroxyethyl)amino]acetyl] 2-aminoacetate
SMILESNCC(=O)OC(=O)CN(CCO)CCO
InChIInChI=1S/C8H16N2O5/c9-5-7(13)15-8(14)6-10(1-3-11)2-4-12/h11-12H,1-6,9H2
InChIKeyWXRSADPMLVYMBK-UHFFFAOYSA-N
XLogP-2.70
TPSA113.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-2.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[bis(2-hydroxyethyl)amino]acetamide;dihydrochloride
CID 18671967
2-[2-hydroxyethyl(3-hydroxypropyl)amino]acetamide
CID 90229971
acetic acid;(2-aminoacetyl) 2-aminoacetate
CID 174797660
methyl 2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 19426049
(2-aminoacetyl)oxycarbonyl 2-aminoacetate
CID 57200330
bis(2-aminoacetyl) oxalate
CID 88769554
[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl] 2-aminoacetate
CID 131718524
potassium 2-[bis(2-hydroxyethyl)amino]acetate
CID 156705178
butyl 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetate
CID 107480814
ethyl 2-[2-diethoxyphosphorylethyl(2-hydroxyethyl)amino]acetate
CID 90013734
(2-methyl-2-propan-2-ylsulfanylpropyl) 2-[bis(2-hydroxyethyl)amino]acetate
CID 176618001
2-[aminomethyl(2-hydroxyethyl)amino]ethanol
CID 18542021

Frequently Asked Questions

What is the IUPAC name of [2-[bis(2-hydroxyethyl)amino]acetyl] 2-aminoacetate?
The IUPAC name of [2-[bis(2-hydroxyethyl)amino]acetyl] 2-aminoacetate (CID 91188570) is [2-[bis(2-hydroxyethyl)amino]acetyl] 2-aminoacetate.
What is the SMILES notation for [2-[bis(2-hydroxyethyl)amino]acetyl] 2-aminoacetate?
The canonical SMILES for [2-[bis(2-hydroxyethyl)amino]acetyl] 2-aminoacetate is NCC(=O)OC(=O)CN(CCO)CCO.
What is the InChIKey of [2-[bis(2-hydroxyethyl)amino]acetyl] 2-aminoacetate?
The InChIKey is WXRSADPMLVYMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O5/c9-5-7(13)15-8(14)6-10(1-3-11)2-4-12/h11-12H,1-6,9H2.
What are the key properties of [2-[bis(2-hydroxyethyl)amino]acetyl] 2-aminoacetate?
[2-[bis(2-hydroxyethyl)amino]acetyl] 2-aminoacetate has a molecular weight of 220.22 g/mol, XLogP of -2.70, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(2-hydroxyethyl)amino]acetyl] 2-aminoacetate is sourced from PubChem (CID 91188570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).