2-[1-(dimethylamino)propan-2-yloxy]acetic acid

C7H15NO3 — CID 138038028

IUPAC2-[1-(dimethylamino)propan-2-yloxy]acetic acid
SMILESCC(CN(C)C)OCC(=O)O
InChIInChI=1S/C7H15NO3/c1-6(4-8(2)3)11-5-7(9)10/h6H,4-5H2,1-3H3,(H,9,10)
InChIKeyCSDYDYXIJKXMMV-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.04
Rot. Bonds5

About 2-[1-(dimethylamino)propan-2-yloxy]acetic acid

2-[1-(dimethylamino)propan-2-yloxy]acetic acid (PubChem CID 138038028) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-[1-(dimethylamino)propan-2-yloxy]acetic acid.

Molecular Properties

Compound Name2-[1-(dimethylamino)propan-2-yloxy]acetic acid
PubChem CID138038028
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name2-[1-(dimethylamino)propan-2-yloxy]acetic acid
SMILESCC(CN(C)C)OCC(=O)O
InChIInChI=1S/C7H15NO3/c1-6(4-8(2)3)11-5-7(9)10/h6H,4-5H2,1-3H3,(H,9,10)
InChIKeyCSDYDYXIJKXMMV-UHFFFAOYSA-N
XLogP0.04
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)propan-2-yloxy]acetic acid?
The IUPAC name of 2-[1-(dimethylamino)propan-2-yloxy]acetic acid (CID 138038028) is 2-[1-(dimethylamino)propan-2-yloxy]acetic acid.
What is the SMILES notation for 2-[1-(dimethylamino)propan-2-yloxy]acetic acid?
The canonical SMILES for 2-[1-(dimethylamino)propan-2-yloxy]acetic acid is CC(CN(C)C)OCC(=O)O.
What is the InChIKey of 2-[1-(dimethylamino)propan-2-yloxy]acetic acid?
The InChIKey is CSDYDYXIJKXMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-6(4-8(2)3)11-5-7(9)10/h6H,4-5H2,1-3H3,(H,9,10).
What are the key properties of 2-[1-(dimethylamino)propan-2-yloxy]acetic acid?
2-[1-(dimethylamino)propan-2-yloxy]acetic acid has a molecular weight of 161.20 g/mol, XLogP of 0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)propan-2-yloxy]acetic acid is sourced from PubChem (CID 138038028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).