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

C10H21NO2 — CID 54072392

IUPAC4-(dimethylamino)-2,2,3-trimethylpentanoic acid
SMILESCC(C(C)C(C)(C)C(=O)O)N(C)C
InChIInChI=1S/C10H21NO2/c1-7(8(2)11(5)6)10(3,4)9(12)13/h7-8H,1-6H3,(H,12,13)
InChIKeyMHIXHGZUNTYECT-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.68
Rot. Bonds4

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

4-(dimethylamino)-2,2,3-trimethylpentanoic acid (PubChem CID 54072392) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 4-(dimethylamino)-2,2,3-trimethylpentanoic acid.

Molecular Properties

Compound Name4-(dimethylamino)-2,2,3-trimethylpentanoic acid
PubChem CID54072392
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name4-(dimethylamino)-2,2,3-trimethylpentanoic acid
SMILESCC(C(C)C(C)(C)C(=O)O)N(C)C
InChIInChI=1S/C10H21NO2/c1-7(8(2)11(5)6)10(3,4)9(12)13/h7-8H,1-6H3,(H,12,13)
InChIKeyMHIXHGZUNTYECT-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(Dimethylamino)ethyl]-4-methylpentanoic acid
CID 53912051
4-(Dimethylamino)-2,2-dimethylpentanoic acid
CID 57165325
(2S)-2,3-dimethyl-4-(methylamino)pentanoic acid
CID 58391099
2,3-Dimethyl-4-(methylamino)pentanoic acid
CID 58391138
(2S,4S)-2,3-dimethyl-4-(methylamino)pentanoic acid
CID 58391176
3-(Diethylaminomethyl)pentanoic acid
CID 81071811
4-[Acetyl(methyl)amino]-2,3,3,4-tetramethylpentanoic acid
CID 87103267
4-(Dimethylamino)-2,3,3,4-tetramethylpentanoic acid
CID 87103286
2-Methyl-1-[2-(2-methylaziridin-1-yl)ethyl]cyclopropane-1-carboxylic acid
CID 87815225
4-[4-Carboxypentan-2-yl(4,4-dimethylhexan-2-yl)amino]-2,2,4-trimethylpentanoic acid
CID 89072521
4-[Ethyl(methyl)amino]-2-methylpentanoic acid
CID 90929569
4-(Dimethylamino)-2-methylpentanoic acid
CID 91296986

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2,2,3-trimethylpentanoic acid?
The IUPAC name of 4-(dimethylamino)-2,2,3-trimethylpentanoic acid (CID 54072392) is 4-(dimethylamino)-2,2,3-trimethylpentanoic acid.
What is the SMILES notation for 4-(dimethylamino)-2,2,3-trimethylpentanoic acid?
The canonical SMILES for 4-(dimethylamino)-2,2,3-trimethylpentanoic acid is CC(C(C)C(C)(C)C(=O)O)N(C)C.
What is the InChIKey of 4-(dimethylamino)-2,2,3-trimethylpentanoic acid?
The InChIKey is MHIXHGZUNTYECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-7(8(2)11(5)6)10(3,4)9(12)13/h7-8H,1-6H3,(H,12,13).
What are the key properties of 4-(dimethylamino)-2,2,3-trimethylpentanoic acid?
4-(dimethylamino)-2,2,3-trimethylpentanoic acid has a molecular weight of 187.28 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2,2,3-trimethylpentanoic acid is sourced from PubChem (CID 54072392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).