3-methyl-2-[[4-methyl-2-(methylamino)pentanoyl]amino]butanoic acid

C12H24N2O3 — CID 118551241

IUPAC3-methyl-2-[[4-methyl-2-(methylamino)pentanoyl]amino]butanoic acid
SMILESCNC(CC(C)C)C(=O)NC(C(=O)O)C(C)C
InChIInChI=1S/C12H24N2O3/c1-7(2)6-9(13-5)11(15)14-10(8(3)4)12(16)17/h7-10,13H,6H2,1-5H3,(H,14,15)(H,16,17)
InChIKeyHIIGBHPUCSZZAJ-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.85
Rot. Bonds7

About 3-methyl-2-[[4-methyl-2-(methylamino)pentanoyl]amino]butanoic acid

3-methyl-2-[[4-methyl-2-(methylamino)pentanoyl]amino]butanoic acid (PubChem CID 118551241) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-methyl-2-[[4-methyl-2-(methylamino)pentanoyl]amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[[4-methyl-2-(methylamino)pentanoyl]amino]butanoic acid
PubChem CID118551241
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name3-methyl-2-[[4-methyl-2-(methylamino)pentanoyl]amino]butanoic acid
SMILESCNC(CC(C)C)C(=O)NC(C(=O)O)C(C)C
InChIInChI=1S/C12H24N2O3/c1-7(2)6-9(13-5)11(15)14-10(8(3)4)12(16)17/h7-10,13H,6H2,1-5H3,(H,14,15)(H,16,17)
InChIKeyHIIGBHPUCSZZAJ-UHFFFAOYSA-N
XLogP0.85
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-methyl-2-[[4-methyl-2-(methylamino)pentanoyl]amino]butanoic 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-[[4-methyl-2-(3-methylbutanoylamino)pentanoyl]amino]butanoic acid
CID 90070574
(2S)-4-methyl-2-(methylamino)-N-[(3S)-2-methyl-4-oxoheptan-3-yl]pentanamide
CID 71315121
2-[[2-(3-hydroxybutanoylamino)-4-methylpentanoyl]amino]-3-methylbutanoic acid
CID 175102586
(2S)-3-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]butanoic acid
CID 14446073
(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoic acid
CID 145458126
2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoic acid
CID 18302149
(2S)-2-[[(2S)-2-[(1-methoxy-1-oxopropan-2-yl)amino]-4-methylpentanoyl]amino]-3-methylbutanoic acid
CID 88654234
(2S)-2-[[(2S)-3-carboxy-2-[deuterio(methyl)amino]propanoyl]amino]-3-methylbutanoic acid
CID 139743955
2-[[2-[[2-(2-aminopropanoylamino)-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoic acid
CID 18236862
2-[[2-[[2-(2-aminopropanoylamino)-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoic acid
CID 18238748
(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoic acid
CID 145454808
2-[[2-[(2-acetamido-3-hydroxypropanoyl)amino]-4-methylpentanoyl]amino]-3-methylbutanoic acid;acetic acid
CID 171340718

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[4-methyl-2-(methylamino)pentanoyl]amino]butanoic acid?
The IUPAC name of 3-methyl-2-[[4-methyl-2-(methylamino)pentanoyl]amino]butanoic acid (CID 118551241) is 3-methyl-2-[[4-methyl-2-(methylamino)pentanoyl]amino]butanoic acid.
What is the SMILES notation for 3-methyl-2-[[4-methyl-2-(methylamino)pentanoyl]amino]butanoic acid?
The canonical SMILES for 3-methyl-2-[[4-methyl-2-(methylamino)pentanoyl]amino]butanoic acid is CNC(CC(C)C)C(=O)NC(C(=O)O)C(C)C.
What is the InChIKey of 3-methyl-2-[[4-methyl-2-(methylamino)pentanoyl]amino]butanoic acid?
The InChIKey is HIIGBHPUCSZZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-7(2)6-9(13-5)11(15)14-10(8(3)4)12(16)17/h7-10,13H,6H2,1-5H3,(H,14,15)(H,16,17).
What are the key properties of 3-methyl-2-[[4-methyl-2-(methylamino)pentanoyl]amino]butanoic acid?
3-methyl-2-[[4-methyl-2-(methylamino)pentanoyl]amino]butanoic acid has a molecular weight of 244.33 g/mol, XLogP of 0.85, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[4-methyl-2-(methylamino)pentanoyl]amino]butanoic acid is sourced from PubChem (CID 118551241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).