2-[[2-[2-[2-(diethylamino)-2-oxoethoxy]ethoxy]acetyl]-methylamino]acetic acid

C13H24N2O6 — CID 567786

IUPAC2-[[2-[2-[2-(diethylamino)-2-oxoethoxy]ethoxy]acetyl]-methylamino]acetic acid
SMILESCCN(CC)C(=O)COCCOCC(=O)N(C)CC(=O)O
InChIInChI=1S/C13H24N2O6/c1-4-15(5-2)12(17)10-21-7-6-20-9-11(16)14(3)8-13(18)19/h4-10H2,1-3H3,(H,18,19)
InChIKeyWSUVTTBHNBLKCA-UHFFFAOYSA-N
MW304.34 g/mol
LogP-0.57
Rot. Bonds11

About 2-[[2-[2-[2-(diethylamino)-2-oxoethoxy]ethoxy]acetyl]-methylamino]acetic acid

2-[[2-[2-[2-(diethylamino)-2-oxoethoxy]ethoxy]acetyl]-methylamino]acetic acid (PubChem CID 567786) has the molecular formula C13H24N2O6 and a molecular weight of 304.34 g/mol. Its IUPAC name is 2-[[2-[2-[2-(diethylamino)-2-oxoethoxy]ethoxy]acetyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-[2-[2-(diethylamino)-2-oxoethoxy]ethoxy]acetyl]-methylamino]acetic acid
PubChem CID567786
Molecular FormulaC13H24N2O6
Molecular Weight304.34 g/mol
Exact Mass304.16
IUPAC Name2-[[2-[2-[2-(diethylamino)-2-oxoethoxy]ethoxy]acetyl]-methylamino]acetic acid
SMILESCCN(CC)C(=O)COCCOCC(=O)N(C)CC(=O)O
InChIInChI=1S/C13H24N2O6/c1-4-15(5-2)12(17)10-21-7-6-20-9-11(16)14(3)8-13(18)19/h4-10H2,1-3H3,(H,18,19)
InChIKeyWSUVTTBHNBLKCA-UHFFFAOYSA-N
XLogP-0.57
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ethyl N,N-diethyloxamate
CID 138489
Ethyl 2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoacetate
CID 14985599
[2-(Diethylamino)-2-oxoethoxy]acetic acid
CID 7320778
N,N,N',N'-Tetraethyl-3,6-dioxaoctanediamide
CID 12855435
2-[2-[[2-(Dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid
CID 61327110
2-[Ethyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid
CID 75383597
2-[(2-Ethoxyacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257971
2-[[2-(2-Methoxyethoxy)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258807
2-[2-Methoxyethyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid
CID 103628756
2-[2-(Dimethylamino)ethyl-[2-(2,2,2-trifluoroethoxy)acetyl]amino]acetic acid
CID 103802566
7,16-Dimethyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-2,6,17-trione
CID 546296
7,13-Dimethyl-1,4,10-trioxa-7,13-diazacyclopentadecane-2,6,14-trione
CID 546301

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-[2-(diethylamino)-2-oxoethoxy]ethoxy]acetyl]-methylamino]acetic acid?
The IUPAC name of 2-[[2-[2-[2-(diethylamino)-2-oxoethoxy]ethoxy]acetyl]-methylamino]acetic acid (CID 567786) is 2-[[2-[2-[2-(diethylamino)-2-oxoethoxy]ethoxy]acetyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-[2-[2-(diethylamino)-2-oxoethoxy]ethoxy]acetyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-[2-[2-(diethylamino)-2-oxoethoxy]ethoxy]acetyl]-methylamino]acetic acid is CCN(CC)C(=O)COCCOCC(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[[2-[2-[2-(diethylamino)-2-oxoethoxy]ethoxy]acetyl]-methylamino]acetic acid?
The InChIKey is WSUVTTBHNBLKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O6/c1-4-15(5-2)12(17)10-21-7-6-20-9-11(16)14(3)8-13(18)19/h4-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[[2-[2-[2-(diethylamino)-2-oxoethoxy]ethoxy]acetyl]-methylamino]acetic acid?
2-[[2-[2-[2-(diethylamino)-2-oxoethoxy]ethoxy]acetyl]-methylamino]acetic acid has a molecular weight of 304.34 g/mol, XLogP of -0.57, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-[2-(diethylamino)-2-oxoethoxy]ethoxy]acetyl]-methylamino]acetic acid is sourced from PubChem (CID 567786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).