2-[3-(2-aminoethoxy)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyacetic acid

C11H21NO6 — CID 87899081

IUPAC2-[3-(2-aminoethoxy)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyacetic acid
SMILESCC(C)(C)OC(=O)C(COCCN)OCC(=O)O
InChIInChI=1S/C11H21NO6/c1-11(2,3)18-10(15)8(6-16-5-4-12)17-7-9(13)14/h8H,4-7,12H2,1-3H3,(H,13,14)
InChIKeyOOPHGIWCDXWCBA-UHFFFAOYSA-N
MW263.29 g/mol
LogP-0.23
Rot. Bonds8

About 2-[3-(2-aminoethoxy)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyacetic acid

2-[3-(2-aminoethoxy)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyacetic acid (PubChem CID 87899081) has the molecular formula C11H21NO6 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-[3-(2-aminoethoxy)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-(2-aminoethoxy)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyacetic acid
PubChem CID87899081
Molecular FormulaC11H21NO6
Molecular Weight263.29 g/mol
Exact Mass263.14
IUPAC Name2-[3-(2-aminoethoxy)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyacetic acid
SMILESCC(C)(C)OC(=O)C(COCCN)OCC(=O)O
InChIInChI=1S/C11H21NO6/c1-11(2,3)18-10(15)8(6-16-5-4-12)17-7-9(13)14/h8H,4-7,12H2,1-3H3,(H,13,14)
InChIKeyOOPHGIWCDXWCBA-UHFFFAOYSA-N
XLogP-0.23
TPSA108.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(2S)-1-(2-aminoethoxy)propan-2-yl]carbamate
CID 155098755
tert-butyl 5-(2-aminoethoxy)-4-ethoxypentanoate
CID 175563215
2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-2-methylpropoxy]acetic acid
CID 167072138
2-[1,3-bis[2-(2-azidoethoxy)ethoxy]propan-2-yloxy]acetic acid;tert-butyl 2-[1,3-bis[2-(2-aminoethoxy)ethoxy]propan-2-yloxy]acetate;tert-butyl 2-[1,3-bis[2-[2-[[2-[1,3-bis[2-(2-aminoethoxy)ethoxy]propan-2-yloxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetate;tert-butyl 2-[1,3-bis[2-[2-[[2-[1,3-bis[2-(2-azidoethoxy)ethoxy]propan-2-yloxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetate
CID 159227785
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 155415114
2-[2-[2-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]propoxy]ethoxy]acetic acid
CID 166714895
acetic acid;2-[2-(2-aminoethoxy)ethoxy]acetic acid
CID 172772523
2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]acetic acid;methylazanium
CID 142879742
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 77078361
tert-butyl 3-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 77078415
tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate
CID 159460097
2-[1-[1-[1-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]acetic acid
CID 175484836

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethoxy)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyacetic acid?
The IUPAC name of 2-[3-(2-aminoethoxy)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyacetic acid (CID 87899081) is 2-[3-(2-aminoethoxy)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-(2-aminoethoxy)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyacetic acid?
The canonical SMILES for 2-[3-(2-aminoethoxy)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyacetic acid is CC(C)(C)OC(=O)C(COCCN)OCC(=O)O.
What is the InChIKey of 2-[3-(2-aminoethoxy)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyacetic acid?
The InChIKey is OOPHGIWCDXWCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO6/c1-11(2,3)18-10(15)8(6-16-5-4-12)17-7-9(13)14/h8H,4-7,12H2,1-3H3,(H,13,14).
What are the key properties of 2-[3-(2-aminoethoxy)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyacetic acid?
2-[3-(2-aminoethoxy)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyacetic acid has a molecular weight of 263.29 g/mol, XLogP of -0.23, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethoxy)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyacetic acid is sourced from PubChem (CID 87899081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).