(2R)-2-(dimethylamino)-4-methylpentanoic acid

C8H17NO2 — CID 21030588

IUPAC(2R)-2-(dimethylamino)-4-methylpentanoic acid
SMILESCC(C)C[C@H](C(=O)O)N(C)C
InChIInChI=1S/C8H17NO2/c1-6(2)5-7(8(10)11)9(3)4/h6-7H,5H2,1-4H3,(H,10,11)/t7-/m1/s1
InChIKeyFZLYRJBAUQHHIH-SSDOTTSWSA-N
MW159.23 g/mol
LogP1.05
Rot. Bonds4

About (2R)-2-(dimethylamino)-4-methylpentanoic acid

(2R)-2-(dimethylamino)-4-methylpentanoic acid (PubChem CID 21030588) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-(dimethylamino)-4-methylpentanoic acid
PubChem CID21030588
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(2R)-2-(dimethylamino)-4-methylpentanoic acid
SMILESCC(C)C[C@H](C(=O)O)N(C)C
InChIInChI=1S/C8H17NO2/c1-6(2)5-7(8(10)11)9(3)4/h6-7H,5H2,1-4H3,(H,10,11)/t7-/m1/s1
InChIKeyFZLYRJBAUQHHIH-SSDOTTSWSA-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

Analyze (2R)-2-(dimethylamino)-4-methylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-4-methylpentanoic acid?
The IUPAC name of (2R)-2-(dimethylamino)-4-methylpentanoic acid (CID 21030588) is (2R)-2-(dimethylamino)-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-(dimethylamino)-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-(dimethylamino)-4-methylpentanoic acid is CC(C)C[C@H](C(=O)O)N(C)C.
What is the InChIKey of (2R)-2-(dimethylamino)-4-methylpentanoic acid?
The InChIKey is FZLYRJBAUQHHIH-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H17NO2/c1-6(2)5-7(8(10)11)9(3)4/h6-7H,5H2,1-4H3,(H,10,11)/t7-/m1/s1.
What are the key properties of (2R)-2-(dimethylamino)-4-methylpentanoic acid?
(2R)-2-(dimethylamino)-4-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 (2R)-2-(dimethylamino)-4-methylpentanoic acid is sourced from PubChem (CID 21030588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).