2-[bis(2-propan-2-yloxyethyl)amino]acetic acid

C12H25NO4 — CID 157202089

IUPAC2-[bis(2-propan-2-yloxyethyl)amino]acetic acid
SMILESCC(C)OCCN(CCOC(C)C)CC(=O)O
InChIInChI=1S/C12H25NO4/c1-10(2)16-7-5-13(9-12(14)15)6-8-17-11(3)4/h10-11H,5-9H2,1-4H3,(H,14,15)
InChIKeyXICDRHQEQHZADW-UHFFFAOYSA-N
MW247.33 g/mol
LogP1.22
Rot. Bonds10

About 2-[bis(2-propan-2-yloxyethyl)amino]acetic acid

2-[bis(2-propan-2-yloxyethyl)amino]acetic acid (PubChem CID 157202089) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is 2-[bis(2-propan-2-yloxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[bis(2-propan-2-yloxyethyl)amino]acetic acid
PubChem CID157202089
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC Name2-[bis(2-propan-2-yloxyethyl)amino]acetic acid
SMILESCC(C)OCCN(CCOC(C)C)CC(=O)O
InChIInChI=1S/C12H25NO4/c1-10(2)16-7-5-13(9-12(14)15)6-8-17-11(3)4/h10-11H,5-9H2,1-4H3,(H,14,15)
InChIKeyXICDRHQEQHZADW-UHFFFAOYSA-N
XLogP1.22
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-propan-2-yloxyethyl)amino]acetic acid?
The IUPAC name of 2-[bis(2-propan-2-yloxyethyl)amino]acetic acid (CID 157202089) is 2-[bis(2-propan-2-yloxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[bis(2-propan-2-yloxyethyl)amino]acetic acid?
The canonical SMILES for 2-[bis(2-propan-2-yloxyethyl)amino]acetic acid is CC(C)OCCN(CCOC(C)C)CC(=O)O.
What is the InChIKey of 2-[bis(2-propan-2-yloxyethyl)amino]acetic acid?
The InChIKey is XICDRHQEQHZADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4/c1-10(2)16-7-5-13(9-12(14)15)6-8-17-11(3)4/h10-11H,5-9H2,1-4H3,(H,14,15).
What are the key properties of 2-[bis(2-propan-2-yloxyethyl)amino]acetic acid?
2-[bis(2-propan-2-yloxyethyl)amino]acetic acid has a molecular weight of 247.33 g/mol, XLogP of 1.22, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-propan-2-yloxyethyl)amino]acetic acid is sourced from PubChem (CID 157202089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).