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

C9H17NO5 — CID 15000283

IUPAC2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetic acid
SMILESCC(C)(C)OC(=O)NCCOCC(=O)O
InChIInChI=1S/C9H17NO5/c1-9(2,3)15-8(13)10-4-5-14-6-7(11)12/h4-6H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyUPBQMAHYLWJGDW-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.61
Rot. Bonds5

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

2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetic acid (PubChem CID 15000283) has the molecular formula C9H17NO5 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetic acid
PubChem CID15000283
Molecular FormulaC9H17NO5
Molecular Weight219.24 g/mol
Exact Mass219.11
IUPAC Name2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetic acid
SMILESCC(C)(C)OC(=O)NCCOCC(=O)O
InChIInChI=1S/C9H17NO5/c1-9(2,3)15-8(13)10-4-5-14-6-7(11)12/h4-6H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyUPBQMAHYLWJGDW-UHFFFAOYSA-N
XLogP0.61
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetic acid (CID 15000283) is 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetic acid is CC(C)(C)OC(=O)NCCOCC(=O)O.
What is the InChIKey of 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetic acid?
The InChIKey is UPBQMAHYLWJGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5/c1-9(2,3)15-8(13)10-4-5-14-6-7(11)12/h4-6H2,1-3H3,(H,10,13)(H,11,12).
What are the key properties of 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetic acid?
2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetic acid has a molecular weight of 219.24 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetic acid is sourced from PubChem (CID 15000283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).