2-[2-[[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropyl]amino]-2-oxoethoxy]acetic acid

C15H30N2O6 — CID 89044576

IUPAC2-[2-[[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropyl]amino]-2-oxoethoxy]acetic acid
SMILESCC(C)(CCOC(C)(C)CNC(=O)COCC(=O)O)OCCN
InChIInChI=1S/C15H30N2O6/c1-14(2,23-8-6-16)5-7-22-15(3,4)11-17-12(18)9-21-10-13(19)20/h5-11,16H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyWVZAAXLDUDXYQN-UHFFFAOYSA-N
MW334.41 g/mol
LogP0.14
Rot. Bonds13

About 2-[2-[[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropyl]amino]-2-oxoethoxy]acetic acid

2-[2-[[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropyl]amino]-2-oxoethoxy]acetic acid (PubChem CID 89044576) has the molecular formula C15H30N2O6 and a molecular weight of 334.41 g/mol. Its IUPAC name is 2-[2-[[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropyl]amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropyl]amino]-2-oxoethoxy]acetic acid
PubChem CID89044576
Molecular FormulaC15H30N2O6
Molecular Weight334.41 g/mol
Exact Mass334.21
IUPAC Name2-[2-[[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropyl]amino]-2-oxoethoxy]acetic acid
SMILESCC(C)(CCOC(C)(C)CNC(=O)COCC(=O)O)OCCN
InChIInChI=1S/C15H30N2O6/c1-14(2,23-8-6-16)5-7-22-15(3,4)11-17-12(18)9-21-10-13(19)20/h5-11,16H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyWVZAAXLDUDXYQN-UHFFFAOYSA-N
XLogP0.14
TPSA120.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropyl]amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropyl]amino]-2-oxoethoxy]acetic acid (CID 89044576) is 2-[2-[[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropyl]amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropyl]amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropyl]amino]-2-oxoethoxy]acetic acid is CC(C)(CCOC(C)(C)CNC(=O)COCC(=O)O)OCCN.
What is the InChIKey of 2-[2-[[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropyl]amino]-2-oxoethoxy]acetic acid?
The InChIKey is WVZAAXLDUDXYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O6/c1-14(2,23-8-6-16)5-7-22-15(3,4)11-17-12(18)9-21-10-13(19)20/h5-11,16H2,1-4H3,(H,17,18)(H,19,20).
What are the key properties of 2-[2-[[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropyl]amino]-2-oxoethoxy]acetic acid?
2-[2-[[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropyl]amino]-2-oxoethoxy]acetic acid has a molecular weight of 334.41 g/mol, XLogP of 0.14, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropyl]amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 89044576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).