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

C8H16N2O5 — CID 131718524

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

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

[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl] 2-aminoacetate (PubChem CID 131718524) has the molecular formula C8H16N2O5 and a molecular weight of 220.22 g/mol. Its IUPAC name is [2-[bis(2-hydroxyethyl)amino]-2-oxoethyl] 2-aminoacetate.

Molecular Properties

Compound Name[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl] 2-aminoacetate
PubChem CID131718524
Molecular FormulaC8H16N2O5
Molecular Weight220.22 g/mol
Exact Mass220.11
IUPAC Name[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl] 2-aminoacetate
SMILESNCC(=O)OCC(=O)N(CCO)CCO
InChIInChI=1S/C8H16N2O5/c9-5-8(14)15-6-7(13)10(1-3-11)2-4-12/h11-12H,1-6,9H2
InChIKeyMYXRLSIBACNQMP-UHFFFAOYSA-N
XLogP-2.70
TPSA113.09 Ų
H-Bond Donors3
H-Bond Acceptors6
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 ≤ 106

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Related Compounds

[2-(dioctadecylamino)-2-oxoethyl] 2-aminoacetate
CID 54404734
N,N-bis(2-hydroxyethyl)-2-methoxyacetamide;ethane
CID 145142021
N-butyl-N-(2-hydroxyethyl)-2-methoxyacetamide
CID 20697100
2-[(2-chloroacetyl)-(2-hydroxyethyl)amino]ethyl 2-chloroacetate
CID 15287413
ethanol;ethyl 2-aminoacetate
CID 174720999
[2-[bis(2-hydroxyethyl)amino]acetyl] 2-aminoacetate
CID 91188570
N-(2-hydroxyethyl)-N-[3-[2-hydroxyethyl(propanoyl)amino]propyl]propanamide
CID 20740586
2-(2-aminoethoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 79474134
ethyl 2-aminoacetate
CID 45039361
(2-methoxy-2-oxoethyl) 2-aminoacetate
CID 87368434
ethyl 2-aminoacetate;zirconium
CID 174594488
3-hydroxypropyl 2-aminoacetate;hydrochloride
CID 174791685

Frequently Asked Questions

What is the IUPAC name of [2-[bis(2-hydroxyethyl)amino]-2-oxoethyl] 2-aminoacetate?
The IUPAC name of [2-[bis(2-hydroxyethyl)amino]-2-oxoethyl] 2-aminoacetate (CID 131718524) is [2-[bis(2-hydroxyethyl)amino]-2-oxoethyl] 2-aminoacetate.
What is the SMILES notation for [2-[bis(2-hydroxyethyl)amino]-2-oxoethyl] 2-aminoacetate?
The canonical SMILES for [2-[bis(2-hydroxyethyl)amino]-2-oxoethyl] 2-aminoacetate is NCC(=O)OCC(=O)N(CCO)CCO.
What is the InChIKey of [2-[bis(2-hydroxyethyl)amino]-2-oxoethyl] 2-aminoacetate?
The InChIKey is MYXRLSIBACNQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O5/c9-5-8(14)15-6-7(13)10(1-3-11)2-4-12/h11-12H,1-6,9H2.
What are the key properties of [2-[bis(2-hydroxyethyl)amino]-2-oxoethyl] 2-aminoacetate?
[2-[bis(2-hydroxyethyl)amino]-2-oxoethyl] 2-aminoacetate has a molecular weight of 220.22 g/mol, XLogP of -2.70, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(2-hydroxyethyl)amino]-2-oxoethyl] 2-aminoacetate is sourced from PubChem (CID 131718524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).