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

C11H17N3O4S — CID 106382853

IUPAC3-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pentanoic acid
SMILESCCC(C)C(NC(=O)NCc1csc(=O)[nH]1)C(=O)O
InChIInChI=1S/C11H17N3O4S/c1-3-6(2)8(9(15)16)14-10(17)12-4-7-5-19-11(18)13-7/h5-6,8H,3-4H2,1-2H3,(H,13,18)(H,15,16)(H2,12,14,17)
InChIKeyCMWGBPTXBVXYOJ-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.73
Rot. Bonds6

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

3-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pentanoic acid (PubChem CID 106382853) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pentanoic acid
PubChem CID106382853
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name3-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pentanoic acid
SMILESCCC(C)C(NC(=O)NCc1csc(=O)[nH]1)C(=O)O
InChIInChI=1S/C11H17N3O4S/c1-3-6(2)8(9(15)16)14-10(17)12-4-7-5-19-11(18)13-7/h5-6,8H,3-4H2,1-2H3,(H,13,18)(H,15,16)(H2,12,14,17)
InChIKeyCMWGBPTXBVXYOJ-UHFFFAOYSA-N
XLogP0.73
TPSA111.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]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-methyl-6-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]heptanoic acid
CID 106382835
4,4-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pentanoic acid
CID 106382771
3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-phenylpentanamide
CID 122133474
2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]pentanoic acid
CID 106382868
(2S,3S)-3-methyl-2-[(5-methylpyrazin-2-yl)methylcarbamoylamino]pentanoic acid
CID 62840347
(2S,3S)-3-methyl-2-(2-methylpropylcarbamoylamino)pentanoic acid
CID 40607627
(2S,3S)-2-[(2-ethylphenyl)methylcarbamoylamino]-3-methylpentanoic acid
CID 64696173
2,2,3-trimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]butanoic acid
CID 106382833
(2S,3S)-3-methyl-2-(pyridin-4-ylmethylcarbamoylamino)pentanoic acid
CID 61194205
3-methyl-2-(pyridin-2-ylmethylcarbamoylamino)pentanoic acid
CID 3373459
2-[1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]azetidin-3-yl]propanoic acid
CID 114181709
(2S,3S)-3-methyl-2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pentanoic acid
CID 62306858

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pentanoic acid?
The IUPAC name of 3-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pentanoic acid (CID 106382853) is 3-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pentanoic acid.
What is the SMILES notation for 3-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pentanoic acid?
The canonical SMILES for 3-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pentanoic acid is CCC(C)C(NC(=O)NCc1csc(=O)[nH]1)C(=O)O.
What is the InChIKey of 3-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pentanoic acid?
The InChIKey is CMWGBPTXBVXYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-3-6(2)8(9(15)16)14-10(17)12-4-7-5-19-11(18)13-7/h5-6,8H,3-4H2,1-2H3,(H,13,18)(H,15,16)(H2,12,14,17).
What are the key properties of 3-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pentanoic acid?
3-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pentanoic acid has a molecular weight of 287.34 g/mol, XLogP of 0.73, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 106382853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).