3-(dimethylamino)-4-methyl-2-(methylamino)pentanoic acid

C9H20N2O2 — CID 116914027

IUPAC3-(dimethylamino)-4-methyl-2-(methylamino)pentanoic acid
SMILESCNC(C(=O)O)C(C(C)C)N(C)C
InChIInChI=1S/C9H20N2O2/c1-6(2)8(11(4)5)7(10-3)9(12)13/h6-8,10H,1-5H3,(H,12,13)
InChIKeyVGLMKAQWRPYGRK-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.25
Rot. Bonds5

About 3-(dimethylamino)-4-methyl-2-(methylamino)pentanoic acid

3-(dimethylamino)-4-methyl-2-(methylamino)pentanoic acid (PubChem CID 116914027) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-(dimethylamino)-4-methyl-2-(methylamino)pentanoic acid.

Molecular Properties

Compound Name3-(dimethylamino)-4-methyl-2-(methylamino)pentanoic acid
PubChem CID116914027
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name3-(dimethylamino)-4-methyl-2-(methylamino)pentanoic acid
SMILESCNC(C(=O)O)C(C(C)C)N(C)C
InChIInChI=1S/C9H20N2O2/c1-6(2)8(11(4)5)7(10-3)9(12)13/h6-8,10H,1-5H3,(H,12,13)
InChIKeyVGLMKAQWRPYGRK-UHFFFAOYSA-N
XLogP0.25
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(dimethylamino)-4-methyl-2-(methylamino)pentanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-3-methyl-2-(methylamino)butanoic acid
CID 161459292
3-methyl-2-(methylamino)butanoic acid
CID 4378
3,4-dimethyl-2-(methylamino)pentanoic acid
CID 15385160
(3S)-3-hydroxy-2-(methylamino)butanoic acid
CID 130189259
(2R)-3,3-difluoro-2-(methylamino)propanoic acid
CID 150436276
(2R,3S)-3-methyl-2-(methylamino)pentanoic acid;hydrochloride
CID 122173693
(2S,3R)-2-hydroxy-3-(methylamino)butanedioic acid
CID 170652608
(2S,3S)-3-formyl-4-methyl-2-(methylamino)pentanoic acid
CID 87990992
(3S)-2-hydroxy-3-(methylamino)butanedioic acid;hydrochloride
CID 88679136
2-(dimethylamino)-3-methylbutanoic acid;hydrochloride
CID 71299250
(2S)-2-[2-[(1S)-1-carboxy-2-methylpropyl]-2-methylhydrazinyl]-3-methylbutanoic acid
CID 175796269
(2R)-3-methyl-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]butanoic acid
CID 79009702

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-4-methyl-2-(methylamino)pentanoic acid?
The IUPAC name of 3-(dimethylamino)-4-methyl-2-(methylamino)pentanoic acid (CID 116914027) is 3-(dimethylamino)-4-methyl-2-(methylamino)pentanoic acid.
What is the SMILES notation for 3-(dimethylamino)-4-methyl-2-(methylamino)pentanoic acid?
The canonical SMILES for 3-(dimethylamino)-4-methyl-2-(methylamino)pentanoic acid is CNC(C(=O)O)C(C(C)C)N(C)C.
What is the InChIKey of 3-(dimethylamino)-4-methyl-2-(methylamino)pentanoic acid?
The InChIKey is VGLMKAQWRPYGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-6(2)8(11(4)5)7(10-3)9(12)13/h6-8,10H,1-5H3,(H,12,13).
What are the key properties of 3-(dimethylamino)-4-methyl-2-(methylamino)pentanoic acid?
3-(dimethylamino)-4-methyl-2-(methylamino)pentanoic acid has a molecular weight of 188.27 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-4-methyl-2-(methylamino)pentanoic acid is sourced from PubChem (CID 116914027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).