2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-2-methylbutanoic acid

C13H27NO4 — CID 62271998

IUPAC2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-2-methylbutanoic acid
SMILESCCC(C)(CN(CCOC)C(C)COC)C(=O)O
InChIInChI=1S/C13H27NO4/c1-6-13(3,12(15)16)10-14(7-8-17-4)11(2)9-18-5/h11H,6-10H2,1-5H3,(H,15,16)
InChIKeyKDYSDXLJRAYXHY-UHFFFAOYSA-N
MW261.36 g/mol
LogP1.47
Rot. Bonds10

About 2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-2-methylbutanoic acid

2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-2-methylbutanoic acid (PubChem CID 62271998) has the molecular formula C13H27NO4 and a molecular weight of 261.36 g/mol. Its IUPAC name is 2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-2-methylbutanoic acid
PubChem CID62271998
Molecular FormulaC13H27NO4
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Name2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-2-methylbutanoic acid
SMILESCCC(C)(CN(CCOC)C(C)COC)C(=O)O
InChIInChI=1S/C13H27NO4/c1-6-13(3,12(15)16)10-14(7-8-17-4)11(2)9-18-5/h11H,6-10H2,1-5H3,(H,15,16)
InChIKeyKDYSDXLJRAYXHY-UHFFFAOYSA-N
XLogP1.47
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-2-methylbutanoic acid?
The IUPAC name of 2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-2-methylbutanoic acid (CID 62271998) is 2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-2-methylbutanoic acid.
What is the SMILES notation for 2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-2-methylbutanoic acid?
The canonical SMILES for 2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-2-methylbutanoic acid is CCC(C)(CN(CCOC)C(C)COC)C(=O)O.
What is the InChIKey of 2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-2-methylbutanoic acid?
The InChIKey is KDYSDXLJRAYXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4/c1-6-13(3,12(15)16)10-14(7-8-17-4)11(2)9-18-5/h11H,6-10H2,1-5H3,(H,15,16).
What are the key properties of 2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-2-methylbutanoic acid?
2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-2-methylbutanoic acid has a molecular weight of 261.36 g/mol, XLogP of 1.47, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-2-methylbutanoic acid is sourced from PubChem (CID 62271998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).