methyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate

C9H14N2O3S — CID 106380904

IUPACmethyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate
SMILESCOC(=O)C(C)CNCc1csc(=O)[nH]1
InChIInChI=1S/C9H14N2O3S/c1-6(8(12)14-2)3-10-4-7-5-15-9(13)11-7/h5-6,10H,3-4H2,1-2H3,(H,11,13)
InChIKeyOLEYTDXMUHXGQU-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.34
Rot. Bonds5

About methyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate

methyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate (PubChem CID 106380904) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is methyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate
PubChem CID106380904
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Namemethyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate
SMILESCOC(=O)C(C)CNCc1csc(=O)[nH]1
InChIInChI=1S/C9H14N2O3S/c1-6(8(12)14-2)3-10-4-7-5-15-9(13)11-7/h5-6,10H,3-4H2,1-2H3,(H,11,13)
InChIKeyOLEYTDXMUHXGQU-UHFFFAOYSA-N
XLogP0.34
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate 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

3,3,3-trifluoro-2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]propanoic acid
CID 106382333
Methyl 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoate
CID 40211740
2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 103775086
4-[[(3-methoxy-2-methylpropyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106380101
methyl 2,2-dimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate
CID 106380654
2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoic acid
CID 106380666
ethyl 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate
CID 106380668
ethyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate
CID 106380695
4-[(3-methoxypropylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380743
2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
CID 106380750
methyl 3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate
CID 106380780
methyl 4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]butanoate
CID 106380796

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate?
The IUPAC name of methyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate (CID 106380904) is methyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate?
The canonical SMILES for methyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate is COC(=O)C(C)CNCc1csc(=O)[nH]1.
What is the InChIKey of methyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate?
The InChIKey is OLEYTDXMUHXGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-6(8(12)14-2)3-10-4-7-5-15-9(13)11-7/h5-6,10H,3-4H2,1-2H3,(H,11,13).
What are the key properties of methyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate?
methyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate has a molecular weight of 230.29 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanoate is sourced from PubChem (CID 106380904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).