2-[bis(2-methoxyethyl)amino]-3-methylbutanoic acid

C11H23NO4 — CID 10966405

IUPAC2-[bis(2-methoxyethyl)amino]-3-methylbutanoic acid
SMILESCOCCN(CCOC)C(C(=O)O)C(C)C
InChIInChI=1S/C11H23NO4/c1-9(2)10(11(13)14)12(5-7-15-3)6-8-16-4/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyHZWODRYAHBYZOL-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.69
Rot. Bonds9

About 2-[bis(2-methoxyethyl)amino]-3-methylbutanoic acid

2-[bis(2-methoxyethyl)amino]-3-methylbutanoic acid (PubChem CID 10966405) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[bis(2-methoxyethyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[bis(2-methoxyethyl)amino]-3-methylbutanoic acid
PubChem CID10966405
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Name2-[bis(2-methoxyethyl)amino]-3-methylbutanoic acid
SMILESCOCCN(CCOC)C(C(=O)O)C(C)C
InChIInChI=1S/C11H23NO4/c1-9(2)10(11(13)14)12(5-7-15-3)6-8-16-4/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyHZWODRYAHBYZOL-UHFFFAOYSA-N
XLogP0.69
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methoxyethyl)amino]-3-methylbutanoic acid?
The IUPAC name of 2-[bis(2-methoxyethyl)amino]-3-methylbutanoic acid (CID 10966405) is 2-[bis(2-methoxyethyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[bis(2-methoxyethyl)amino]-3-methylbutanoic acid?
The canonical SMILES for 2-[bis(2-methoxyethyl)amino]-3-methylbutanoic acid is COCCN(CCOC)C(C(=O)O)C(C)C.
What is the InChIKey of 2-[bis(2-methoxyethyl)amino]-3-methylbutanoic acid?
The InChIKey is HZWODRYAHBYZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-9(2)10(11(13)14)12(5-7-15-3)6-8-16-4/h9-10H,5-8H2,1-4H3,(H,13,14).
What are the key properties of 2-[bis(2-methoxyethyl)amino]-3-methylbutanoic acid?
2-[bis(2-methoxyethyl)amino]-3-methylbutanoic acid has a molecular weight of 233.31 g/mol, XLogP of 0.69, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methoxyethyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 10966405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).