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

C9H19NO3 — CID 65111531

IUPAC3-[(2-hydroxy-2-methylbutyl)amino]-2-methylpropanoic acid
SMILESCCC(C)(O)CNCC(C)C(=O)O
InChIInChI=1S/C9H19NO3/c1-4-9(3,13)6-10-5-7(2)8(11)12/h7,10,13H,4-6H2,1-3H3,(H,11,12)
InChIKeyCHXPICJTYKICLP-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.46
Rot. Bonds6

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

3-[(2-hydroxy-2-methylbutyl)amino]-2-methylpropanoic acid (PubChem CID 65111531) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 3-[(2-hydroxy-2-methylbutyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2-hydroxy-2-methylbutyl)amino]-2-methylpropanoic acid
PubChem CID65111531
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name3-[(2-hydroxy-2-methylbutyl)amino]-2-methylpropanoic acid
SMILESCCC(C)(O)CNCC(C)C(=O)O
InChIInChI=1S/C9H19NO3/c1-4-9(3,13)6-10-5-7(2)8(11)12/h7,10,13H,4-6H2,1-3H3,(H,11,12)
InChIKeyCHXPICJTYKICLP-UHFFFAOYSA-N
XLogP0.46
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2-dimethylbutylamino)-2-methylpropanoic acid
CID 103461240
3-[(2-hydroxy-2-methylbutyl)amino]-2-phenylpropanoic acid
CID 65106380
1-(2,2-dimethoxyethylamino)-2-methylbutan-2-ol
CID 65107941
1-[(2-hydroxy-2-methylbutyl)amino]-2,3-dimethylbutan-2-ol
CID 114493226
1-(2,2-diethoxyethylamino)-2-methylbutan-2-ol
CID 81093278
2-acetamido-3-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]propanoic acid
CID 106247273
3-[[2-(4-chlorophenyl)-2-methylpropyl]amino]-2-methylpropanoic acid
CID 115219650
methyl 3-[(2-hydroxy-2-methylbutyl)amino]-2-phenylpropanoate
CID 65106276
2-methyl-3-[[2-methyl-2-(1-methylpiperidin-4-yl)propyl]amino]propanoic acid
CID 115219676
2-[(2-hydroxy-2-methylbutyl)amino]-N-pentan-3-ylacetamide
CID 65111812
3-(2-carboxyethylamino)-2-methylpropanoic acid
CID 154090510
2-acetamido-3-(2,2-dimethylpropylamino)propanoic acid
CID 64583872

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-2-methylbutyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[(2-hydroxy-2-methylbutyl)amino]-2-methylpropanoic acid (CID 65111531) is 3-[(2-hydroxy-2-methylbutyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2-hydroxy-2-methylbutyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(2-hydroxy-2-methylbutyl)amino]-2-methylpropanoic acid is CCC(C)(O)CNCC(C)C(=O)O.
What is the InChIKey of 3-[(2-hydroxy-2-methylbutyl)amino]-2-methylpropanoic acid?
The InChIKey is CHXPICJTYKICLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-4-9(3,13)6-10-5-7(2)8(11)12/h7,10,13H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 3-[(2-hydroxy-2-methylbutyl)amino]-2-methylpropanoic acid?
3-[(2-hydroxy-2-methylbutyl)amino]-2-methylpropanoic acid has a molecular weight of 189.25 g/mol, XLogP of 0.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-2-methylbutyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 65111531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).