2-[(4-hydroxy-2,2-dimethylbutyl)amino]-3-methylbutanoic acid

C11H23NO3 — CID 106149098

IUPAC2-[(4-hydroxy-2,2-dimethylbutyl)amino]-3-methylbutanoic acid
SMILESCC(C)C(NCC(C)(C)CCO)C(=O)O
InChIInChI=1S/C11H23NO3/c1-8(2)9(10(14)15)12-7-11(3,4)5-6-13/h8-9,12-13H,5-7H2,1-4H3,(H,14,15)
InChIKeyNALDRGVYLFXEBE-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.09
Rot. Bonds7

About 2-[(4-hydroxy-2,2-dimethylbutyl)amino]-3-methylbutanoic acid

2-[(4-hydroxy-2,2-dimethylbutyl)amino]-3-methylbutanoic acid (PubChem CID 106149098) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-[(4-hydroxy-2,2-dimethylbutyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[(4-hydroxy-2,2-dimethylbutyl)amino]-3-methylbutanoic acid
PubChem CID106149098
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2-[(4-hydroxy-2,2-dimethylbutyl)amino]-3-methylbutanoic acid
SMILESCC(C)C(NCC(C)(C)CCO)C(=O)O
InChIInChI=1S/C11H23NO3/c1-8(2)9(10(14)15)12-7-11(3,4)5-6-13/h8-9,12-13H,5-7H2,1-4H3,(H,14,15)
InChIKeyNALDRGVYLFXEBE-UHFFFAOYSA-N
XLogP1.09
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-(2,2,2-trifluoroethylamino)butanoic acid;hydrochloride
CID 138109921
2-[(4-hydroxy-2,2-dimethylbutyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 114149934
2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-propylpropanamide
CID 106146607
2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbutanamide
CID 106147902
(2S)-3-methyl-2-[(1,1,2,2-tetradeuterio-2-hydroxyethyl)amino]butanoic acid
CID 131667803
2-[[2-(azetidin-1-yl)-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468727
(2R)-3-methyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]butanoic acid
CID 122124273
2-(2-hydroxypropylamino)-3-methylbutanoic acid
CID 21121256
(2S)-2-[[(2R)-2-hydroxypropyl]amino]-3-methylbutanoic acid
CID 58703522
2-[(2-ethyl-4-hydroxybutyl)amino]-3-methylbutanoic acid
CID 103259023
2-[(2-amino-2-methylpropyl)amino]-3-hydroxybutanoic acid
CID 90020733
(2S)-2-(2,3-dihydroxypropylamino)-3-methylbutanoic acid
CID 54486502

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-2,2-dimethylbutyl)amino]-3-methylbutanoic acid?
The IUPAC name of 2-[(4-hydroxy-2,2-dimethylbutyl)amino]-3-methylbutanoic acid (CID 106149098) is 2-[(4-hydroxy-2,2-dimethylbutyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[(4-hydroxy-2,2-dimethylbutyl)amino]-3-methylbutanoic acid?
The canonical SMILES for 2-[(4-hydroxy-2,2-dimethylbutyl)amino]-3-methylbutanoic acid is CC(C)C(NCC(C)(C)CCO)C(=O)O.
What is the InChIKey of 2-[(4-hydroxy-2,2-dimethylbutyl)amino]-3-methylbutanoic acid?
The InChIKey is NALDRGVYLFXEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-8(2)9(10(14)15)12-7-11(3,4)5-6-13/h8-9,12-13H,5-7H2,1-4H3,(H,14,15).
What are the key properties of 2-[(4-hydroxy-2,2-dimethylbutyl)amino]-3-methylbutanoic acid?
2-[(4-hydroxy-2,2-dimethylbutyl)amino]-3-methylbutanoic acid has a molecular weight of 217.31 g/mol, XLogP of 1.09, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-2,2-dimethylbutyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 106149098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).