2-[ethyl(propyl)amino]-4-methoxy-2-methylbutanoic acid

C11H23NO3 — CID 114999200

IUPAC2-[ethyl(propyl)amino]-4-methoxy-2-methylbutanoic acid
SMILESCCCN(CC)C(C)(CCOC)C(=O)O
InChIInChI=1S/C11H23NO3/c1-5-8-12(6-2)11(3,10(13)14)7-9-15-4/h5-9H2,1-4H3,(H,13,14)
InChIKeyARSOSNIFTGBASO-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.60
Rot. Bonds8

About 2-[ethyl(propyl)amino]-4-methoxy-2-methylbutanoic acid

2-[ethyl(propyl)amino]-4-methoxy-2-methylbutanoic acid (PubChem CID 114999200) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-[ethyl(propyl)amino]-4-methoxy-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[ethyl(propyl)amino]-4-methoxy-2-methylbutanoic acid
PubChem CID114999200
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2-[ethyl(propyl)amino]-4-methoxy-2-methylbutanoic acid
SMILESCCCN(CC)C(C)(CCOC)C(=O)O
InChIInChI=1S/C11H23NO3/c1-5-8-12(6-2)11(3,10(13)14)7-9-15-4/h5-9H2,1-4H3,(H,13,14)
InChIKeyARSOSNIFTGBASO-UHFFFAOYSA-N
XLogP1.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(propyl)amino]-4-methoxy-2-methylbutanoic acid?
The IUPAC name of 2-[ethyl(propyl)amino]-4-methoxy-2-methylbutanoic acid (CID 114999200) is 2-[ethyl(propyl)amino]-4-methoxy-2-methylbutanoic acid.
What is the SMILES notation for 2-[ethyl(propyl)amino]-4-methoxy-2-methylbutanoic acid?
The canonical SMILES for 2-[ethyl(propyl)amino]-4-methoxy-2-methylbutanoic acid is CCCN(CC)C(C)(CCOC)C(=O)O.
What is the InChIKey of 2-[ethyl(propyl)amino]-4-methoxy-2-methylbutanoic acid?
The InChIKey is ARSOSNIFTGBASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-5-8-12(6-2)11(3,10(13)14)7-9-15-4/h5-9H2,1-4H3,(H,13,14).
What are the key properties of 2-[ethyl(propyl)amino]-4-methoxy-2-methylbutanoic acid?
2-[ethyl(propyl)amino]-4-methoxy-2-methylbutanoic acid has a molecular weight of 217.31 g/mol, XLogP of 1.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(propyl)amino]-4-methoxy-2-methylbutanoic acid is sourced from PubChem (CID 114999200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).