3-[tert-butyl(methyl)amino]-2-methylpropanoic acid

C9H19NO2 — CID 82111352

IUPAC3-[tert-butyl(methyl)amino]-2-methylpropanoic acid
SMILESCC(CN(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C9H19NO2/c1-7(8(11)12)6-10(5)9(2,3)4/h7H,6H2,1-5H3,(H,11,12)
InChIKeyFHZLHGQUCKOZON-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.44
Rot. Bonds3

About 3-[tert-butyl(methyl)amino]-2-methylpropanoic acid

3-[tert-butyl(methyl)amino]-2-methylpropanoic acid (PubChem CID 82111352) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-[tert-butyl(methyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[tert-butyl(methyl)amino]-2-methylpropanoic acid
PubChem CID82111352
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name3-[tert-butyl(methyl)amino]-2-methylpropanoic acid
SMILESCC(CN(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C9H19NO2/c1-7(8(11)12)6-10(5)9(2,3)4/h7H,6H2,1-5H3,(H,11,12)
InChIKeyFHZLHGQUCKOZON-UHFFFAOYSA-N
XLogP1.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[methyl(2,3,3-trimethylbutanoyl)amino]propanoic acid
CID 120687256
3-[(2-amino-2-oxoethyl)-tert-butylamino]-2-methylpropanoic acid
CID 82326800
3-[2,2-dimethylpropyl(ethyl)amino]-2-methylpropanoic acid
CID 65061319
3-[2,2-diethylbutyl(methyl)amino]-2-methylpropanoic acid
CID 122047170
3-[2,2-dimethylpropanoyl(2-methylpropyl)amino]-2-methylpropanoic acid
CID 82323783
3-[5,5-dimethylhexanoyl(methyl)amino]-2-methylpropanoic acid
CID 119228445
3-[cyclopropyl(methyl)amino]-2-methylpropanoic acid
CID 43538764
2-methyl-3-[methyl(5-methylhexan-2-yl)amino]propanoic acid
CID 65067442
4-[[2-carboxypropyl(methyl)amino]methyl]benzoic acid
CID 82328751
3-[(3-cyano-3-methylbutyl)-methylamino]-2-methylpropanoic acid
CID 65250665
3-[benzoyl(tert-butyl)amino]-2-methylpropanoic acid
CID 82324552
3-[2-ethylbutanoyl(2-hydroxypropyl)amino]-2-methylpropanoic acid
CID 82323893

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(methyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[tert-butyl(methyl)amino]-2-methylpropanoic acid (CID 82111352) is 3-[tert-butyl(methyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[tert-butyl(methyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[tert-butyl(methyl)amino]-2-methylpropanoic acid is CC(CN(C)C(C)(C)C)C(=O)O.
What is the InChIKey of 3-[tert-butyl(methyl)amino]-2-methylpropanoic acid?
The InChIKey is FHZLHGQUCKOZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-7(8(11)12)6-10(5)9(2,3)4/h7H,6H2,1-5H3,(H,11,12).
What are the key properties of 3-[tert-butyl(methyl)amino]-2-methylpropanoic acid?
3-[tert-butyl(methyl)amino]-2-methylpropanoic acid has a molecular weight of 173.26 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(methyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 82111352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).