4-(dimethylamino)-2,2,4-trimethylpentanoic acid

C10H21NO2 — CID 91611216

IUPAC4-(dimethylamino)-2,2,4-trimethylpentanoic acid
SMILESCN(C)C(C)(C)CC(C)(C)C(=O)O
InChIInChI=1S/C10H21NO2/c1-9(2,8(12)13)7-10(3,4)11(5)6/h7H2,1-6H3,(H,12,13)
InChIKeyQAGOTQMFALOFDN-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.83
Rot. Bonds4

About 4-(dimethylamino)-2,2,4-trimethylpentanoic acid

4-(dimethylamino)-2,2,4-trimethylpentanoic acid (PubChem CID 91611216) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 4-(dimethylamino)-2,2,4-trimethylpentanoic acid.

Molecular Properties

Compound Name4-(dimethylamino)-2,2,4-trimethylpentanoic acid
PubChem CID91611216
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name4-(dimethylamino)-2,2,4-trimethylpentanoic acid
SMILESCN(C)C(C)(C)CC(C)(C)C(=O)O
InChIInChI=1S/C10H21NO2/c1-9(2,8(12)13)7-10(3,4)11(5)6/h7H2,1-6H3,(H,12,13)
InChIKeyQAGOTQMFALOFDN-UHFFFAOYSA-N
XLogP1.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.83
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-(Dimethylamino)-2,2-dimethylbutanoic acid
CID 65249244
4-[Acetyl(methyl)amino]-2,3,3,4-tetramethylpentanoic acid
CID 87103267
4-(Dimethylamino)-2,3,3,4-tetramethylpentanoic acid
CID 87103286
4-[(4-Carboxy-2,4-dimethylpentan-2-yl)-(2,4,4-trimethylpentan-2-yl)amino]-2,2,4-trimethylpentanoic acid
CID 89019440
4-[Ethyl(methyl)amino]-2-methylpentanoic acid
CID 90929569
4-(Dimethylamino)-2-methylpentanoic acid
CID 91296986
4-Carboxypentan-2-yl-dimethyl-(4-methylpentan-2-yl)azanium
CID 122499423
2-Methyl-4-[methyl(4-methylpentan-2-yl)amino]pentanoic acid
CID 122499424
4-(Dimethylamino)-2,2,4-trimethylhexanoic acid
CID 123590414

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2,2,4-trimethylpentanoic acid?
The IUPAC name of 4-(dimethylamino)-2,2,4-trimethylpentanoic acid (CID 91611216) is 4-(dimethylamino)-2,2,4-trimethylpentanoic acid.
What is the SMILES notation for 4-(dimethylamino)-2,2,4-trimethylpentanoic acid?
The canonical SMILES for 4-(dimethylamino)-2,2,4-trimethylpentanoic acid is CN(C)C(C)(C)CC(C)(C)C(=O)O.
What is the InChIKey of 4-(dimethylamino)-2,2,4-trimethylpentanoic acid?
The InChIKey is QAGOTQMFALOFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-9(2,8(12)13)7-10(3,4)11(5)6/h7H2,1-6H3,(H,12,13).
What are the key properties of 4-(dimethylamino)-2,2,4-trimethylpentanoic acid?
4-(dimethylamino)-2,2,4-trimethylpentanoic acid has a molecular weight of 187.28 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2,2,4-trimethylpentanoic acid is sourced from PubChem (CID 91611216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).