2-ethyl-2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]butanoic acid

C14H27NO3 — CID 55055744

IUPAC2-ethyl-2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]butanoic acid
SMILESCCN(CC1CCCO1)CC(CC)(CC)C(=O)O
InChIInChI=1S/C14H27NO3/c1-4-14(5-2,13(16)17)11-15(6-3)10-12-8-7-9-18-12/h12H,4-11H2,1-3H3,(H,16,17)
InChIKeyLBTXWBHYVNBXCJ-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.38
Rot. Bonds8

About 2-ethyl-2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]butanoic acid

2-ethyl-2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]butanoic acid (PubChem CID 55055744) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 2-ethyl-2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]butanoic acid
PubChem CID55055744
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name2-ethyl-2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]butanoic acid
SMILESCCN(CC1CCCO1)CC(CC)(CC)C(=O)O
InChIInChI=1S/C14H27NO3/c1-4-14(5-2,13(16)17)11-15(6-3)10-12-8-7-9-18-12/h12H,4-11H2,1-3H3,(H,16,17)
InChIKeyLBTXWBHYVNBXCJ-UHFFFAOYSA-N
XLogP2.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]butanoic acid (CID 55055744) is 2-ethyl-2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]butanoic acid is CCN(CC1CCCO1)CC(CC)(CC)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]butanoic acid?
The InChIKey is LBTXWBHYVNBXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-4-14(5-2,13(16)17)11-15(6-3)10-12-8-7-9-18-12/h12H,4-11H2,1-3H3,(H,16,17).
What are the key properties of 2-ethyl-2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]butanoic acid?
2-ethyl-2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]butanoic acid has a molecular weight of 257.37 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]butanoic acid is sourced from PubChem (CID 55055744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).