3-(2,2-dimethylbutylamino)-2-methylpropanoic acid

C10H21NO2 — CID 103461240

IUPAC3-(2,2-dimethylbutylamino)-2-methylpropanoic acid
SMILESCCC(C)(C)CNCC(C)C(=O)O
InChIInChI=1S/C10H21NO2/c1-5-10(3,4)7-11-6-8(2)9(12)13/h8,11H,5-7H2,1-4H3,(H,12,13)
InChIKeyOSBHXSHWDUOQNB-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.73
Rot. Bonds6

About 3-(2,2-dimethylbutylamino)-2-methylpropanoic acid

3-(2,2-dimethylbutylamino)-2-methylpropanoic acid (PubChem CID 103461240) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-(2,2-dimethylbutylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2,2-dimethylbutylamino)-2-methylpropanoic acid
PubChem CID103461240
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-(2,2-dimethylbutylamino)-2-methylpropanoic acid
SMILESCCC(C)(C)CNCC(C)C(=O)O
InChIInChI=1S/C10H21NO2/c1-5-10(3,4)7-11-6-8(2)9(12)13/h8,11H,5-7H2,1-4H3,(H,12,13)
InChIKeyOSBHXSHWDUOQNB-UHFFFAOYSA-N
XLogP1.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-hydroxy-2-methylbutyl)amino]-2-methylpropanoic acid
CID 65111531
3-[[2-(4-chlorophenyl)-2-methylpropyl]amino]-2-methylpropanoic acid
CID 115219650
N-[2-(2,2-dimethylbutylamino)ethyl]-2-methylpropanamide
CID 146594177
(2S)-2-(2,2-dimethylbutylcarbamoylamino)propanoic acid
CID 103463188
2-amino-3-(2,2-dimethylbutylamino)propan-1-ol
CID 115121008
2-methyl-3-[[2-methyl-2-(1-methylpiperidin-4-yl)propyl]amino]propanoic acid
CID 115219676
2-(2,2-dimethylbutylamino)-N-methyl-N-propan-2-ylacetamide
CID 103461330
N-butan-2-yl-2-(2,2-dimethylbutylamino)acetamide
CID 103461294
3-(2-carboxyethylamino)-2-methylpropanoic acid
CID 154090510
2-acetamido-3-(2,2-dimethylpropylamino)propanoic acid
CID 64583872
2-methyl-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid
CID 115219667
2-(2,2-dimethylbutylamino)-N-pentan-2-ylacetamide
CID 103461265

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylbutylamino)-2-methylpropanoic acid?
The IUPAC name of 3-(2,2-dimethylbutylamino)-2-methylpropanoic acid (CID 103461240) is 3-(2,2-dimethylbutylamino)-2-methylpropanoic acid.
What is the SMILES notation for 3-(2,2-dimethylbutylamino)-2-methylpropanoic acid?
The canonical SMILES for 3-(2,2-dimethylbutylamino)-2-methylpropanoic acid is CCC(C)(C)CNCC(C)C(=O)O.
What is the InChIKey of 3-(2,2-dimethylbutylamino)-2-methylpropanoic acid?
The InChIKey is OSBHXSHWDUOQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-10(3,4)7-11-6-8(2)9(12)13/h8,11H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 3-(2,2-dimethylbutylamino)-2-methylpropanoic acid?
3-(2,2-dimethylbutylamino)-2-methylpropanoic acid has a molecular weight of 187.28 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylbutylamino)-2-methylpropanoic acid is sourced from PubChem (CID 103461240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).