2,2-dimethyl-3-[methyl(pentan-2-yl)amino]propanoic acid

C11H23NO2 — CID 62270301

IUPAC2,2-dimethyl-3-[methyl(pentan-2-yl)amino]propanoic acid
SMILESCCCC(C)N(C)CC(C)(C)C(=O)O
InChIInChI=1S/C11H23NO2/c1-6-7-9(2)12(5)8-11(3,4)10(13)14/h9H,6-8H2,1-5H3,(H,13,14)
InChIKeyGWSOWDQJHUDQQS-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.22
Rot. Bonds6

About 2,2-dimethyl-3-[methyl(pentan-2-yl)amino]propanoic acid

2,2-dimethyl-3-[methyl(pentan-2-yl)amino]propanoic acid (PubChem CID 62270301) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2,2-dimethyl-3-[methyl(pentan-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[methyl(pentan-2-yl)amino]propanoic acid
PubChem CID62270301
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2,2-dimethyl-3-[methyl(pentan-2-yl)amino]propanoic acid
SMILESCCCC(C)N(C)CC(C)(C)C(=O)O
InChIInChI=1S/C11H23NO2/c1-6-7-9(2)12(5)8-11(3,4)10(13)14/h9H,6-8H2,1-5H3,(H,13,14)
InChIKeyGWSOWDQJHUDQQS-UHFFFAOYSA-N
XLogP2.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-methoxypropan-2-yl(methyl)amino]-2,2-dimethylpropanoic acid
CID 62271402
3-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]-2,2-dimethylpropanoic acid
CID 79624612
3-[(1-amino-1-sulfanylidenepropan-2-yl)-methylamino]-2,2-dimethylpropanoic acid
CID 79624001
1-amino-2-methyl-3-[methyl(pentan-2-yl)amino]propan-2-ol
CID 64819539
2-methyl-2-[methyl(pentan-2-yl)amino]pentanoic acid
CID 114989107
2,4-dimethyl-2-[methyl(pentan-2-yl)amino]pentanoic acid
CID 114990867
2,2-dimethyl-3-[pentyl(propan-2-yl)amino]propanoic acid
CID 62271230
tert-butyl N-methyl-N-[(2S)-pentan-2-yl]carbamate
CID 141142694
2,2,4,4,6-pentamethylnonanoic acid
CID 143847726
2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]pentanoic acid
CID 55055416
2,2-dimethyl-4-[methyl(4-methylpentan-2-yl)amino]butanoic acid
CID 65248118
5-[butan-2-yl(methyl)amino]-2,2-dimethylpentanoic acid
CID 65254735

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[methyl(pentan-2-yl)amino]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[methyl(pentan-2-yl)amino]propanoic acid (CID 62270301) is 2,2-dimethyl-3-[methyl(pentan-2-yl)amino]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[methyl(pentan-2-yl)amino]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[methyl(pentan-2-yl)amino]propanoic acid is CCCC(C)N(C)CC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-[methyl(pentan-2-yl)amino]propanoic acid?
The InChIKey is GWSOWDQJHUDQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-6-7-9(2)12(5)8-11(3,4)10(13)14/h9H,6-8H2,1-5H3,(H,13,14).
What are the key properties of 2,2-dimethyl-3-[methyl(pentan-2-yl)amino]propanoic acid?
2,2-dimethyl-3-[methyl(pentan-2-yl)amino]propanoic acid has a molecular weight of 201.31 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[methyl(pentan-2-yl)amino]propanoic acid is sourced from PubChem (CID 62270301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).