4-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]pentanoic acid

C12H18N2O4S — CID 43170166

IUPAC4-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]pentanoic acid
SMILESCc1csc(=O)n1CC(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C12H18N2O4S/c1-7(2)4-9(11(16)17)13-10(15)5-14-8(3)6-19-12(14)18/h6-7,9H,4-5H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyQHFFCVOSRDSRCG-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.83
Rot. Bonds6

About 4-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]pentanoic acid

4-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]pentanoic acid (PubChem CID 43170166) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 4-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]pentanoic acid
PubChem CID43170166
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name4-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]pentanoic acid
SMILESCc1csc(=O)n1CC(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C12H18N2O4S/c1-7(2)4-9(11(16)17)13-10(15)5-14-8(3)6-19-12(14)18/h6-7,9H,4-5H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyQHFFCVOSRDSRCG-UHFFFAOYSA-N
XLogP0.83
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]pentanoic acid with MolForge

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Related Compounds

Gly-Met-Leu
CID 49864407
Met-Ala-Leu
CID 9880748
Met-Gly-Leu
CID 10267955
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CID 15923256
Ala-Met-Leu
CID 145453639
(2S)-4-methyl-2-[[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]amino]pentanoic acid
CID 20719107
2-[(2-Acetamido-4-methylsulfanylbutanoyl)amino]-4-methylpentanoic acid
CID 85449077
2-[[2-(Butanoylamino)-4-methylsulfanylbutanoyl]amino]-4-methylpentanoic acid
CID 90136949
Thz-DVal-Leu
CID 131717387
(2R)-2-[3-[(2-aminoacetyl)amino]prop-1-en-2-ylamino]-4-methylpentanoic acid
CID 145165738
(2S)-2-[[(2R)-3-(acetamidomethylsulfanyl)-2-aminopropanoyl]amino]-4-methylpentanoic acid
CID 175773448
H-Gly-Cys(Acm)-Leu-OH
CID 175773537

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]pentanoic acid (CID 43170166) is 4-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]pentanoic acid is Cc1csc(=O)n1CC(=O)NC(CC(C)C)C(=O)O.
What is the InChIKey of 4-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]pentanoic acid?
The InChIKey is QHFFCVOSRDSRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-7(2)4-9(11(16)17)13-10(15)5-14-8(3)6-19-12(14)18/h6-7,9H,4-5H2,1-3H3,(H,13,15)(H,16,17).
What are the key properties of 4-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]pentanoic acid?
4-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]pentanoic acid has a molecular weight of 286.35 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 43170166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).