2-ethyl-2-[[(2-propan-2-ylcyclobutyl)amino]methyl]butanoic acid

C14H27NO2 — CID 122128335

IUPAC2-ethyl-2-[[(2-propan-2-ylcyclobutyl)amino]methyl]butanoic acid
SMILESCCC(CC)(CNC1CCC1C(C)C)C(=O)O
InChIInChI=1S/C14H27NO2/c1-5-14(6-2,13(16)17)9-15-12-8-7-11(12)10(3)4/h10-12,15H,5-9H2,1-4H3,(H,16,17)
InChIKeyLGTQIVIVMCEGIX-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.90
Rot. Bonds7

About 2-ethyl-2-[[(2-propan-2-ylcyclobutyl)amino]methyl]butanoic acid

2-ethyl-2-[[(2-propan-2-ylcyclobutyl)amino]methyl]butanoic acid (PubChem CID 122128335) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-ethyl-2-[[(2-propan-2-ylcyclobutyl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[(2-propan-2-ylcyclobutyl)amino]methyl]butanoic acid
PubChem CID122128335
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-ethyl-2-[[(2-propan-2-ylcyclobutyl)amino]methyl]butanoic acid
SMILESCCC(CC)(CNC1CCC1C(C)C)C(=O)O
InChIInChI=1S/C14H27NO2/c1-5-14(6-2,13(16)17)9-15-12-8-7-11(12)10(3)4/h10-12,15H,5-9H2,1-4H3,(H,16,17)
InChIKeyLGTQIVIVMCEGIX-UHFFFAOYSA-N
XLogP2.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(2-propan-2-ylcyclobutyl)amino]methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[[(2-propan-2-ylcyclobutyl)amino]methyl]butanoic acid (CID 122128335) is 2-ethyl-2-[[(2-propan-2-ylcyclobutyl)amino]methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[(2-propan-2-ylcyclobutyl)amino]methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[(2-propan-2-ylcyclobutyl)amino]methyl]butanoic acid is CCC(CC)(CNC1CCC1C(C)C)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[(2-propan-2-ylcyclobutyl)amino]methyl]butanoic acid?
The InChIKey is LGTQIVIVMCEGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-5-14(6-2,13(16)17)9-15-12-8-7-11(12)10(3)4/h10-12,15H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 2-ethyl-2-[[(2-propan-2-ylcyclobutyl)amino]methyl]butanoic acid?
2-ethyl-2-[[(2-propan-2-ylcyclobutyl)amino]methyl]butanoic acid has a molecular weight of 241.37 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(2-propan-2-ylcyclobutyl)amino]methyl]butanoic acid is sourced from PubChem (CID 122128335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).