ethane;2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]acetic acid

C13H27NO6 — CID 142814707

IUPACethane;2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]acetic acid
SMILESCC.CC(C)(C)OC(=O)NCCOCCOCC(=O)O
InChIInChI=1S/C11H21NO6.C2H6/c1-11(2,3)18-10(15)12-4-5-16-6-7-17-8-9(13)14;1-2/h4-8H2,1-3H3,(H,12,15)(H,13,14);1-2H3
InChIKeyXSXKIMSMAHFWSL-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.66
Rot. Bonds8

About ethane;2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]acetic acid

ethane;2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]acetic acid (PubChem CID 142814707) has the molecular formula C13H27NO6 and a molecular weight of 293.36 g/mol. Its IUPAC name is ethane;2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]acetic acid.

Molecular Properties

Compound Nameethane;2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]acetic acid
PubChem CID142814707
Molecular FormulaC13H27NO6
Molecular Weight293.36 g/mol
Exact Mass293.18
IUPAC Nameethane;2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]acetic acid
SMILESCC.CC(C)(C)OC(=O)NCCOCCOCC(=O)O
InChIInChI=1S/C11H21NO6.C2H6/c1-11(2,3)18-10(15)12-4-5-16-6-7-17-8-9(13)14;1-2/h4-8H2,1-3H3,(H,12,15)(H,13,14);1-2H3
InChIKeyXSXKIMSMAHFWSL-UHFFFAOYSA-N
XLogP1.66
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 11660330
tert-butyl N-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154659295
2-[2-[5-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]-4-oxopentoxy]ethoxy]acetic acid
CID 87434108
2-[2-[2-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]propoxy]ethoxy]acetic acid
CID 166714895
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 51341057
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 75534948
tert-butyl N-[2-(2-hydroxyprop-2-enoxy)ethyl]carbamate
CID 163823990
2-[carboxymethyl-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethyl]amino]acetic acid
CID 152544554
tert-butyl N-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethyl]carbamate
CID 11046862
2-[2-[2-[2-[2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 166714881
tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate
CID 159460097
tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 126480541

Frequently Asked Questions

What is the IUPAC name of ethane;2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]acetic acid?
The IUPAC name of ethane;2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]acetic acid (CID 142814707) is ethane;2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]acetic acid.
What is the SMILES notation for ethane;2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]acetic acid?
The canonical SMILES for ethane;2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]acetic acid is CC.CC(C)(C)OC(=O)NCCOCCOCC(=O)O.
What is the InChIKey of ethane;2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]acetic acid?
The InChIKey is XSXKIMSMAHFWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO6.C2H6/c1-11(2,3)18-10(15)12-4-5-16-6-7-17-8-9(13)14;1-2/h4-8H2,1-3H3,(H,12,15)(H,13,14);1-2H3.
What are the key properties of ethane;2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]acetic acid?
ethane;2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]acetic acid has a molecular weight of 293.36 g/mol, XLogP of 1.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]acetic acid is sourced from PubChem (CID 142814707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).