4-(dimethylamino)-2,3,3,4-tetramethylpentanoic acid

C11H23NO2 — CID 87103286

IUPAC4-(dimethylamino)-2,3,3,4-tetramethylpentanoic acid
SMILESCC(C(=O)O)C(C)(C)C(C)(C)N(C)C
InChIInChI=1S/C11H23NO2/c1-8(9(13)14)10(2,3)11(4,5)12(6)7/h8H,1-7H3,(H,13,14)
InChIKeySZXGRGXFFWLUSW-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.07
Rot. Bonds4

About 4-(dimethylamino)-2,3,3,4-tetramethylpentanoic acid

4-(dimethylamino)-2,3,3,4-tetramethylpentanoic acid (PubChem CID 87103286) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 4-(dimethylamino)-2,3,3,4-tetramethylpentanoic acid.

Molecular Properties

Compound Name4-(dimethylamino)-2,3,3,4-tetramethylpentanoic acid
PubChem CID87103286
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name4-(dimethylamino)-2,3,3,4-tetramethylpentanoic acid
SMILESCC(C(=O)O)C(C)(C)C(C)(C)N(C)C
InChIInChI=1S/C11H23NO2/c1-8(9(13)14)10(2,3)11(4,5)12(6)7/h8H,1-7H3,(H,13,14)
InChIKeySZXGRGXFFWLUSW-UHFFFAOYSA-N
XLogP2.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Dimethylamino)-4-methylpentanoic acid hydrochloride
CID 167732809
4-(Dimethylamino)-2,2,3-trimethylpentanoic acid
CID 54072392
4-(Dimethylamino)-2,2-dimethylpentanoic acid
CID 57165325
4-[Acetyl(methyl)amino]-2,3,3,4-tetramethylpentanoic acid
CID 87103267
(3R,4S)-3,4-dimethyl-1-(3-methylpentan-3-yl)piperidine-4-carboxylic acid
CID 89737054
(2-Carboxy-3-methylpentan-2-yl)-trimethylazanium
CID 91097439
4-(Dimethylamino)-2-methylpentanoic acid
CID 91296986
4-(Dimethylamino)-2,2,4-trimethylpentanoic acid
CID 91611216
1-Tert-butyl-3,3-dimethylpiperidine-4-carboxylic acid
CID 117024585
4-(Dimethylamino)-2,2,4-trimethylhexanoic acid
CID 123590414
(4-Carboxy-2,4-dimethylpentan-2-yl)-trimethylazanium
CID 132064359
3-(Dimethylamino)bicyclo[1.1.1]pentane-1-carboxylic acid
CID 135395153

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2,3,3,4-tetramethylpentanoic acid?
The IUPAC name of 4-(dimethylamino)-2,3,3,4-tetramethylpentanoic acid (CID 87103286) is 4-(dimethylamino)-2,3,3,4-tetramethylpentanoic acid.
What is the SMILES notation for 4-(dimethylamino)-2,3,3,4-tetramethylpentanoic acid?
The canonical SMILES for 4-(dimethylamino)-2,3,3,4-tetramethylpentanoic acid is CC(C(=O)O)C(C)(C)C(C)(C)N(C)C.
What is the InChIKey of 4-(dimethylamino)-2,3,3,4-tetramethylpentanoic acid?
The InChIKey is SZXGRGXFFWLUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-8(9(13)14)10(2,3)11(4,5)12(6)7/h8H,1-7H3,(H,13,14).
What are the key properties of 4-(dimethylamino)-2,3,3,4-tetramethylpentanoic acid?
4-(dimethylamino)-2,3,3,4-tetramethylpentanoic acid has a molecular weight of 201.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2,3,3,4-tetramethylpentanoic acid is sourced from PubChem (CID 87103286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).