2-methyl-3-(methylamino)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxopropanoic acid

C10H14N2O3S — CID 114900157

IUPAC2-methyl-3-(methylamino)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxopropanoic acid
SMILESCNC(=O)C(C)(Cc1csc(C)n1)C(=O)O
InChIInChI=1S/C10H14N2O3S/c1-6-12-7(5-16-6)4-10(2,9(14)15)8(13)11-3/h5H,4H2,1-3H3,(H,11,13)(H,14,15)
InChIKeyUNSXYOKPILXLEW-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.83
Rot. Bonds4

About 2-methyl-3-(methylamino)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxopropanoic acid

2-methyl-3-(methylamino)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxopropanoic acid (PubChem CID 114900157) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxopropanoic acid.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxopropanoic acid
PubChem CID114900157
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name2-methyl-3-(methylamino)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxopropanoic acid
SMILESCNC(=O)C(C)(Cc1csc(C)n1)C(=O)O
InChIInChI=1S/C10H14N2O3S/c1-6-12-7(5-16-6)4-10(2,9(14)15)8(13)11-3/h5H,4H2,1-3H3,(H,11,13)(H,14,15)
InChIKeyUNSXYOKPILXLEW-UHFFFAOYSA-N
XLogP0.83
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N,2,2-trimethyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide
CID 115748996
2-hydroxy-2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 106509698
2-amino-2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 83620151
1-(tert-butylamino)-2-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 66038221
4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzoic acid
CID 43139161
ethyl 2-(aminomethyl)-2-methyl-3-(2-methyl-1,3-thiazol-4-yl)propanoate
CID 106487078
2,2-dimethyl-5-[2-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]hydrazinyl]-5-oxopentanoic acid
CID 166385996
3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxopropanoic acid
CID 103973317
2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid
CID 106490163
4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzoic acid
CID 114139058
(2R)-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]butanoic acid
CID 28819853
(2S)-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 51052302

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxopropanoic acid?
The IUPAC name of 2-methyl-3-(methylamino)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxopropanoic acid (CID 114900157) is 2-methyl-3-(methylamino)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxopropanoic acid.
What is the SMILES notation for 2-methyl-3-(methylamino)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxopropanoic acid?
The canonical SMILES for 2-methyl-3-(methylamino)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxopropanoic acid is CNC(=O)C(C)(Cc1csc(C)n1)C(=O)O.
What is the InChIKey of 2-methyl-3-(methylamino)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxopropanoic acid?
The InChIKey is UNSXYOKPILXLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-6-12-7(5-16-6)4-10(2,9(14)15)8(13)11-3/h5H,4H2,1-3H3,(H,11,13)(H,14,15).
What are the key properties of 2-methyl-3-(methylamino)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxopropanoic acid?
2-methyl-3-(methylamino)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxopropanoic acid has a molecular weight of 242.30 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxopropanoic acid is sourced from PubChem (CID 114900157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).