2-[ethyl-(3-hydroxy-3-methylbutyl)amino]-2-methylpropanoic acid

C11H23NO3 — CID 79355288

IUPAC2-[ethyl-(3-hydroxy-3-methylbutyl)amino]-2-methylpropanoic acid
SMILESCCN(CCC(C)(C)O)C(C)(C)C(=O)O
InChIInChI=1S/C11H23NO3/c1-6-12(8-7-10(2,3)15)11(4,5)9(13)14/h15H,6-8H2,1-5H3,(H,13,14)
InChIKeyOINTYTMRDCLSLA-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.33
Rot. Bonds6

About 2-[ethyl-(3-hydroxy-3-methylbutyl)amino]-2-methylpropanoic acid

2-[ethyl-(3-hydroxy-3-methylbutyl)amino]-2-methylpropanoic acid (PubChem CID 79355288) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-[ethyl-(3-hydroxy-3-methylbutyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-(3-hydroxy-3-methylbutyl)amino]-2-methylpropanoic acid
PubChem CID79355288
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2-[ethyl-(3-hydroxy-3-methylbutyl)amino]-2-methylpropanoic acid
SMILESCCN(CCC(C)(C)O)C(C)(C)C(=O)O
InChIInChI=1S/C11H23NO3/c1-6-12(8-7-10(2,3)15)11(4,5)9(13)14/h15H,6-8H2,1-5H3,(H,13,14)
InChIKeyOINTYTMRDCLSLA-UHFFFAOYSA-N
XLogP1.33
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Diethylamino)-2-methylpropanoic acid
CID 22902537
2-[(3-Hydroxy-3-methylbutyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79356026
2-[3-Fluoropropyl(methyl)amino]-2-methylpropanoic acid
CID 81113050
2-[Ethyl(3-fluoropropyl)amino]-2-methylpropanoic acid
CID 81113165
2-Carboxypropan-2-yl-dimethyl-pentylazanium
CID 18764880
2-Carboxypropan-2-yl-ethyl-dimethylazanium
CID 19837484
2-Carboxypropan-2-yl-dimethyl-(2-oxopropyl)azanium
CID 19936225
2-[Butyl(methyl)amino]-2-methylpropanoic acid
CID 20984753
2-(Dipropylamino)-2-methylpropanoic acid
CID 20985307
2-(Dibutylamino)propanoic acid
CID 20985342
2-[Butyl(ethyl)amino]propanoic acid
CID 20990944
2-[Tert-butyl(methyl)amino]propanoic acid
CID 21195120

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(3-hydroxy-3-methylbutyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-(3-hydroxy-3-methylbutyl)amino]-2-methylpropanoic acid (CID 79355288) is 2-[ethyl-(3-hydroxy-3-methylbutyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-(3-hydroxy-3-methylbutyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-(3-hydroxy-3-methylbutyl)amino]-2-methylpropanoic acid is CCN(CCC(C)(C)O)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-(3-hydroxy-3-methylbutyl)amino]-2-methylpropanoic acid?
The InChIKey is OINTYTMRDCLSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-6-12(8-7-10(2,3)15)11(4,5)9(13)14/h15H,6-8H2,1-5H3,(H,13,14).
What are the key properties of 2-[ethyl-(3-hydroxy-3-methylbutyl)amino]-2-methylpropanoic acid?
2-[ethyl-(3-hydroxy-3-methylbutyl)amino]-2-methylpropanoic acid has a molecular weight of 217.31 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(3-hydroxy-3-methylbutyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 79355288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).