2-[3,3-dimethylbutan-2-yl(methyl)amino]-2,4-dimethylpentanoic acid

C14H29NO2 — CID 114998070

IUPAC2-[3,3-dimethylbutan-2-yl(methyl)amino]-2,4-dimethylpentanoic acid
SMILESCC(C)CC(C)(C(=O)O)N(C)C(C)C(C)(C)C
InChIInChI=1S/C14H29NO2/c1-10(2)9-14(7,12(16)17)15(8)11(3)13(4,5)6/h10-11H,9H2,1-8H3,(H,16,17)
InChIKeyLTKHKXJSWFTJCZ-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.24
Rot. Bonds5

About 2-[3,3-dimethylbutan-2-yl(methyl)amino]-2,4-dimethylpentanoic acid

2-[3,3-dimethylbutan-2-yl(methyl)amino]-2,4-dimethylpentanoic acid (PubChem CID 114998070) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-[3,3-dimethylbutan-2-yl(methyl)amino]-2,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-[3,3-dimethylbutan-2-yl(methyl)amino]-2,4-dimethylpentanoic acid
PubChem CID114998070
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2-[3,3-dimethylbutan-2-yl(methyl)amino]-2,4-dimethylpentanoic acid
SMILESCC(C)CC(C)(C(=O)O)N(C)C(C)C(C)(C)C
InChIInChI=1S/C14H29NO2/c1-10(2)9-14(7,12(16)17)15(8)11(3)13(4,5)6/h10-11H,9H2,1-8H3,(H,16,17)
InChIKeyLTKHKXJSWFTJCZ-UHFFFAOYSA-N
XLogP3.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyl-2-[methyl(pentan-2-yl)amino]pentanoic acid
CID 114990867
2,4-dimethyl-2-[methyl(pentyl)amino]pentanoic acid
CID 114990864
2-carbamoyl-2,4-dimethylpentanoic acid
CID 114899918
2-[2-(dimethylamino)ethylamino]-2,4-dimethylpentanoic acid
CID 61001781
2,3-ditert-butyl-2,3-bis(2-methylpropyl)butanedioic acid
CID 118610937
2-(dimethylcarbamoyloxy)-2,4-dimethylpentanoic acid
CID 126560988
2-methyl-2-[methyl(pentan-2-yl)amino]pentanoic acid
CID 114989107
2,4-dimethyl-2-(2-methylpropylamino)pentanoic acid
CID 61001424
4-methyl-2-(methylamino)-2-(2-methylpropyl)pentanoic acid
CID 114868050
2-(5-bromofuran-2-yl)-2,4-dimethylpentanoic acid
CID 83845206
2,4-dimethyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]pentanoic acid
CID 115002535
2-[1-hydroxyethyl(methyl)amino]-2-methylpent-4-enoic acid
CID 175373751

Frequently Asked Questions

What is the IUPAC name of 2-[3,3-dimethylbutan-2-yl(methyl)amino]-2,4-dimethylpentanoic acid?
The IUPAC name of 2-[3,3-dimethylbutan-2-yl(methyl)amino]-2,4-dimethylpentanoic acid (CID 114998070) is 2-[3,3-dimethylbutan-2-yl(methyl)amino]-2,4-dimethylpentanoic acid.
What is the SMILES notation for 2-[3,3-dimethylbutan-2-yl(methyl)amino]-2,4-dimethylpentanoic acid?
The canonical SMILES for 2-[3,3-dimethylbutan-2-yl(methyl)amino]-2,4-dimethylpentanoic acid is CC(C)CC(C)(C(=O)O)N(C)C(C)C(C)(C)C.
What is the InChIKey of 2-[3,3-dimethylbutan-2-yl(methyl)amino]-2,4-dimethylpentanoic acid?
The InChIKey is LTKHKXJSWFTJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-10(2)9-14(7,12(16)17)15(8)11(3)13(4,5)6/h10-11H,9H2,1-8H3,(H,16,17).
What are the key properties of 2-[3,3-dimethylbutan-2-yl(methyl)amino]-2,4-dimethylpentanoic acid?
2-[3,3-dimethylbutan-2-yl(methyl)amino]-2,4-dimethylpentanoic acid has a molecular weight of 243.39 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-dimethylbutan-2-yl(methyl)amino]-2,4-dimethylpentanoic acid is sourced from PubChem (CID 114998070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).