2,2-dimethyl-4-[methyl(4-methylpentan-2-yl)amino]butanoic acid

C13H27NO2 — CID 65248118

IUPAC2,2-dimethyl-4-[methyl(4-methylpentan-2-yl)amino]butanoic acid
SMILESCC(C)CC(C)N(C)CCC(C)(C)C(=O)O
InChIInChI=1S/C13H27NO2/c1-10(2)9-11(3)14(6)8-7-13(4,5)12(15)16/h10-11H,7-9H2,1-6H3,(H,15,16)
InChIKeyUXIWLSBNYXZSDW-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.85
Rot. Bonds7

About 2,2-dimethyl-4-[methyl(4-methylpentan-2-yl)amino]butanoic acid

2,2-dimethyl-4-[methyl(4-methylpentan-2-yl)amino]butanoic acid (PubChem CID 65248118) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2,2-dimethyl-4-[methyl(4-methylpentan-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-[methyl(4-methylpentan-2-yl)amino]butanoic acid
PubChem CID65248118
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2,2-dimethyl-4-[methyl(4-methylpentan-2-yl)amino]butanoic acid
SMILESCC(C)CC(C)N(C)CCC(C)(C)C(=O)O
InChIInChI=1S/C13H27NO2/c1-10(2)9-11(3)14(6)8-7-13(4,5)12(15)16/h10-11H,7-9H2,1-6H3,(H,15,16)
InChIKeyUXIWLSBNYXZSDW-UHFFFAOYSA-N
XLogP2.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[butan-2-yl(methyl)amino]-2,2-dimethylpentanoic acid
CID 65254735
1-N,3-dimethyl-1-N-(4-methylpentan-2-yl)butane-1,3-diamine
CID 64682040
2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]pentanoic acid
CID 55055416
2,2-dimethyl-4-[methyl(4-methylpentyl)amino]butanoic acid
CID 115221210
tert-butyl 3-[methyl(4-methylpentan-2-yl)amino]propanoate
CID 115590841
2,2-dimethyl-5-[methyl(pentan-3-yl)amino]pentanoic acid
CID 65254940
2,2-dimethyl-6-[methyl(3-methylbutan-2-yl)amino]hexanoic acid
CID 106713917
5-[bis(2-methylpropyl)amino]-2,2-dimethylpentanoic acid
CID 65254635
4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethylbutanoic acid
CID 65247850
4-[methyl(4-methylpentan-2-yl)amino]-2-(propan-2-ylamino)butanoic acid
CID 63055545
4-[2-(dimethylamino)ethyl-propylamino]-2,2-dimethylbutanoic acid
CID 65248284
2-ethyl-2-[methyl(4-methylpentan-2-yl)amino]butanoic acid
CID 114996709

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[methyl(4-methylpentan-2-yl)amino]butanoic acid?
The IUPAC name of 2,2-dimethyl-4-[methyl(4-methylpentan-2-yl)amino]butanoic acid (CID 65248118) is 2,2-dimethyl-4-[methyl(4-methylpentan-2-yl)amino]butanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-[methyl(4-methylpentan-2-yl)amino]butanoic acid?
The canonical SMILES for 2,2-dimethyl-4-[methyl(4-methylpentan-2-yl)amino]butanoic acid is CC(C)CC(C)N(C)CCC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-4-[methyl(4-methylpentan-2-yl)amino]butanoic acid?
The InChIKey is UXIWLSBNYXZSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-10(2)9-11(3)14(6)8-7-13(4,5)12(15)16/h10-11H,7-9H2,1-6H3,(H,15,16).
What are the key properties of 2,2-dimethyl-4-[methyl(4-methylpentan-2-yl)amino]butanoic acid?
2,2-dimethyl-4-[methyl(4-methylpentan-2-yl)amino]butanoic acid has a molecular weight of 229.36 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[methyl(4-methylpentan-2-yl)amino]butanoic acid is sourced from PubChem (CID 65248118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).