2-[2-methoxyethyl(pentan-3-yl)amino]-2-methylpropanoic acid

C12H25NO3 — CID 114996787

IUPAC2-[2-methoxyethyl(pentan-3-yl)amino]-2-methylpropanoic acid
SMILESCCC(CC)N(CCOC)C(C)(C)C(=O)O
InChIInChI=1S/C12H25NO3/c1-6-10(7-2)13(8-9-16-5)12(3,4)11(14)15/h10H,6-9H2,1-5H3,(H,14,15)
InChIKeyYMGHGBRSNRKFQL-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.99
Rot. Bonds8

About 2-[2-methoxyethyl(pentan-3-yl)amino]-2-methylpropanoic acid

2-[2-methoxyethyl(pentan-3-yl)amino]-2-methylpropanoic acid (PubChem CID 114996787) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-[2-methoxyethyl(pentan-3-yl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl(pentan-3-yl)amino]-2-methylpropanoic acid
PubChem CID114996787
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name2-[2-methoxyethyl(pentan-3-yl)amino]-2-methylpropanoic acid
SMILESCCC(CC)N(CCOC)C(C)(C)C(=O)O
InChIInChI=1S/C12H25NO3/c1-6-10(7-2)13(8-9-16-5)12(3,4)11(14)15/h10H,6-9H2,1-5H3,(H,14,15)
InChIKeyYMGHGBRSNRKFQL-UHFFFAOYSA-N
XLogP1.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(pentan-3-yl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[2-methoxyethyl(pentan-3-yl)amino]-2-methylpropanoic acid (CID 114996787) is 2-[2-methoxyethyl(pentan-3-yl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-methoxyethyl(pentan-3-yl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[2-methoxyethyl(pentan-3-yl)amino]-2-methylpropanoic acid is CCC(CC)N(CCOC)C(C)(C)C(=O)O.
What is the InChIKey of 2-[2-methoxyethyl(pentan-3-yl)amino]-2-methylpropanoic acid?
The InChIKey is YMGHGBRSNRKFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-6-10(7-2)13(8-9-16-5)12(3,4)11(14)15/h10H,6-9H2,1-5H3,(H,14,15).
What are the key properties of 2-[2-methoxyethyl(pentan-3-yl)amino]-2-methylpropanoic acid?
2-[2-methoxyethyl(pentan-3-yl)amino]-2-methylpropanoic acid has a molecular weight of 231.34 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(pentan-3-yl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 114996787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).