4-(dimethylamino)-2-methylpentanoic acid

C8H17NO2 — CID 91296986

IUPAC4-(dimethylamino)-2-methylpentanoic acid
SMILESCC(CC(C)N(C)C)C(=O)O
InChIInChI=1S/C8H17NO2/c1-6(8(10)11)5-7(2)9(3)4/h6-7H,5H2,1-4H3,(H,10,11)
InChIKeyVJIGZLCLRQNCDS-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.05
Rot. Bonds4

About 4-(dimethylamino)-2-methylpentanoic acid

4-(dimethylamino)-2-methylpentanoic acid (PubChem CID 91296986) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 4-(dimethylamino)-2-methylpentanoic acid.

Molecular Properties

Compound Name4-(dimethylamino)-2-methylpentanoic acid
PubChem CID91296986
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name4-(dimethylamino)-2-methylpentanoic acid
SMILESCC(CC(C)N(C)C)C(=O)O
InChIInChI=1S/C8H17NO2/c1-6(8(10)11)5-7(2)9(3)4/h6-7H,5H2,1-4H3,(H,10,11)
InChIKeyVJIGZLCLRQNCDS-UHFFFAOYSA-N
XLogP1.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-methylpentanoic acid?
The IUPAC name of 4-(dimethylamino)-2-methylpentanoic acid (CID 91296986) is 4-(dimethylamino)-2-methylpentanoic acid.
What is the SMILES notation for 4-(dimethylamino)-2-methylpentanoic acid?
The canonical SMILES for 4-(dimethylamino)-2-methylpentanoic acid is CC(CC(C)N(C)C)C(=O)O.
What is the InChIKey of 4-(dimethylamino)-2-methylpentanoic acid?
The InChIKey is VJIGZLCLRQNCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-6(8(10)11)5-7(2)9(3)4/h6-7H,5H2,1-4H3,(H,10,11).
What are the key properties of 4-(dimethylamino)-2-methylpentanoic acid?
4-(dimethylamino)-2-methylpentanoic acid has a molecular weight of 159.23 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-methylpentanoic acid is sourced from PubChem (CID 91296986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).