3-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid

C11H16N2O3S — CID 18071894

IUPAC3-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
SMILESCCC(C)C(NC(=O)c1scnc1C)C(=O)O
InChIInChI=1S/C11H16N2O3S/c1-4-6(2)8(11(15)16)13-10(14)9-7(3)12-5-17-9/h5-6,8H,4H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyVANHBJIKZYTHQK-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.68
Rot. Bonds5

About 3-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid

3-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid (PubChem CID 18071894) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
PubChem CID18071894
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name3-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
SMILESCCC(C)C(NC(=O)c1scnc1C)C(=O)O
InChIInChI=1S/C11H16N2O3S/c1-4-6(2)8(11(15)16)13-10(14)9-7(3)12-5-17-9/h5-6,8H,4H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyVANHBJIKZYTHQK-UHFFFAOYSA-N
XLogP1.68
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-3-methyl-2-[(5-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 110835380
N-(3-aminobutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 130948721
(2S,3S)-2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-3-methylpentanoic acid
CID 55116101
(2S)-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]heptanoic acid
CID 97337438
2-methyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 62676725
(2S)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]pentanoic acid
CID 61173952
(2S,3S)-3-methyl-2-(thiadiazole-4-carbonylamino)pentanoic acid
CID 65214443
3-methyl-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 81064431
3-methyl-2-[[(4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]butanoic acid
CID 65215342
(2R,3R)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
CID 30054086
2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid
CID 18072824
(2S)-4-[(2-methylpropan-2-yl)oxy]-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-4-oxobutanoic acid
CID 82813726

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid?
The IUPAC name of 3-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid (CID 18071894) is 3-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 3-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid?
The canonical SMILES for 3-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid is CCC(C)C(NC(=O)c1scnc1C)C(=O)O.
What is the InChIKey of 3-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid?
The InChIKey is VANHBJIKZYTHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-4-6(2)8(11(15)16)13-10(14)9-7(3)12-5-17-9/h5-6,8H,4H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 3-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid?
3-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid has a molecular weight of 256.33 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 18071894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).