3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-methylbutanoic acid

C11H23NO3 — CID 79414186

IUPAC3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-methylbutanoic acid
SMILESCCN(CC(C)(C)O)C(C)C(C)C(=O)O
InChIInChI=1S/C11H23NO3/c1-6-12(7-11(4,5)15)9(3)8(2)10(13)14/h8-9,15H,6-7H2,1-5H3,(H,13,14)
InChIKeyJEDYGDQYWGOXRP-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.19
Rot. Bonds6

About 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-methylbutanoic acid

3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-methylbutanoic acid (PubChem CID 79414186) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-methylbutanoic acid
PubChem CID79414186
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-methylbutanoic acid
SMILESCCN(CC(C)(C)O)C(C)C(C)C(=O)O
InChIInChI=1S/C11H23NO3/c1-6-12(7-11(4,5)15)9(3)8(2)10(13)14/h8-9,15H,6-7H2,1-5H3,(H,13,14)
InChIKeyJEDYGDQYWGOXRP-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanamide
CID 79389363
3-[bis(2-methylpropyl)amino]-2-methylbutanoic acid
CID 79406985
3-[benzyl(ethyl)amino]-2-methylbutanoic acid
CID 79406218
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(2-methylpropyl)propanamide
CID 79389367
3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-methylamino]-2-methylpropanoic acid
CID 79386168
2-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]propanoic acid
CID 79390632
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanethioamide
CID 79380798
(2S)-2-(diethylamino)propanoic acid
CID 18664197
ethyl 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanoate
CID 82840562
3-[ethyl-(2-hydroxy-2-methylpropyl)amino]butanethioamide
CID 79381834
3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbutanehydrazide
CID 79409219
2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-propan-2-ylamino]acetic acid
CID 79385927

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-methylbutanoic acid?
The IUPAC name of 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-methylbutanoic acid (CID 79414186) is 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-methylbutanoic acid is CCN(CC(C)(C)O)C(C)C(C)C(=O)O.
What is the InChIKey of 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-methylbutanoic acid?
The InChIKey is JEDYGDQYWGOXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-6-12(7-11(4,5)15)9(3)8(2)10(13)14/h8-9,15H,6-7H2,1-5H3,(H,13,14).
What are the key properties of 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-methylbutanoic acid?
3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-methylbutanoic acid has a molecular weight of 217.31 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 79414186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).