4-methyl-2-(3-methylsulfanylpropanoylamino)pentanoic acid

C10H19NO3S — CID 43183366

IUPAC4-methyl-2-(3-methylsulfanylpropanoylamino)pentanoic acid
SMILESCSCCC(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C10H19NO3S/c1-7(2)6-8(10(13)14)11-9(12)4-5-15-3/h7-8H,4-6H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyXCJLABCIKKPRCE-UHFFFAOYSA-N
MW233.33 g/mol
LogP1.36
Rot. Bonds7

About 4-methyl-2-(3-methylsulfanylpropanoylamino)pentanoic acid

4-methyl-2-(3-methylsulfanylpropanoylamino)pentanoic acid (PubChem CID 43183366) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 4-methyl-2-(3-methylsulfanylpropanoylamino)pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-(3-methylsulfanylpropanoylamino)pentanoic acid
PubChem CID43183366
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name4-methyl-2-(3-methylsulfanylpropanoylamino)pentanoic acid
SMILESCSCCC(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C10H19NO3S/c1-7(2)6-8(10(13)14)11-9(12)4-5-15-3/h7-8H,4-6H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyXCJLABCIKKPRCE-UHFFFAOYSA-N
XLogP1.36
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-(3-methylsulfanylpropanoylamino)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

2-(3-methylsulfanylpropanoylamino)pentanoic acid
CID 43631087
2-(3-methylsulfanylpropanoylamino)propanoic acid
CID 43183402
(2R)-2-(3-methylsulfanylpropanoylamino)propanoic acid
CID 28777824
3-methoxy-2-(3-methylsulfanylpropanoylamino)propanoic acid
CID 81080047
(2R)-4-methyl-2-(3-phenylsulfanylpropanoylamino)pentanoic acid
CID 78975535
(2S)-4-methoxy-2-(3-methylsulfanylpropanoylamino)-4-oxobutanoic acid
CID 63307197
(2S)-2-(3-acetamidopropanoylamino)-4-methylpentanoic acid
CID 61137787
(2S)-4-methyl-2-(octanoylamino)pentanoic acid
CID 15021466
(2S)-4-methyl-2-(tetracosanoylamino)pentanoic acid
CID 171116901
(2R)-2-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid
CID 82012413
(2S)-4-methyl-2-(pentadecanoylamino)pentanoic acid
CID 54331833
2-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid
CID 82010708

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-methylsulfanylpropanoylamino)pentanoic acid?
The IUPAC name of 4-methyl-2-(3-methylsulfanylpropanoylamino)pentanoic acid (CID 43183366) is 4-methyl-2-(3-methylsulfanylpropanoylamino)pentanoic acid.
What is the SMILES notation for 4-methyl-2-(3-methylsulfanylpropanoylamino)pentanoic acid?
The canonical SMILES for 4-methyl-2-(3-methylsulfanylpropanoylamino)pentanoic acid is CSCCC(=O)NC(CC(C)C)C(=O)O.
What is the InChIKey of 4-methyl-2-(3-methylsulfanylpropanoylamino)pentanoic acid?
The InChIKey is XCJLABCIKKPRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-7(2)6-8(10(13)14)11-9(12)4-5-15-3/h7-8H,4-6H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 4-methyl-2-(3-methylsulfanylpropanoylamino)pentanoic acid?
4-methyl-2-(3-methylsulfanylpropanoylamino)pentanoic acid has a molecular weight of 233.33 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methylsulfanylpropanoylamino)pentanoic acid is sourced from PubChem (CID 43183366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).