3-methoxy-2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid

C9H14N2O3S — CID 115000886

IUPAC3-methoxy-2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid
SMILESCOCC(C)(NCc1nccs1)C(=O)O
InChIInChI=1S/C9H14N2O3S/c1-9(6-14-2,8(12)13)11-5-7-10-3-4-15-7/h3-4,11H,5-6H2,1-2H3,(H,12,13)
InChIKeyMMCPPPWPVDOTKS-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.72
Rot. Bonds6

About 3-methoxy-2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid

3-methoxy-2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid (PubChem CID 115000886) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 3-methoxy-2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid
PubChem CID115000886
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name3-methoxy-2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid
SMILESCOCC(C)(NCc1nccs1)C(=O)O
InChIInChI=1S/C9H14N2O3S/c1-9(6-14-2,8(12)13)11-5-7-10-3-4-15-7/h3-4,11H,5-6H2,1-2H3,(H,12,13)
InChIKeyMMCPPPWPVDOTKS-UHFFFAOYSA-N
XLogP0.72
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid
CID 78969560
3-methoxy-2-methyl-2-(pyridin-3-ylmethylamino)propanoic acid
CID 82239881
methyl 2-(1,3-thiazol-2-ylmethylamino)acetate
CID 61286040
2-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 82110511
2-[[2-methyl-1-(1,3-thiazol-2-yl)propan-2-yl]amino]acetic acid;propane
CID 144892398
3-methoxy-2-methyl-2-[(5-methylfuran-2-yl)methylamino]propanoic acid
CID 115002340
4-methoxy-3-(1,3-thiazol-2-ylmethylamino)benzoic acid
CID 63743799
4-(1,3-thiazol-2-ylmethylamino)benzoic acid
CID 62231543
ethane;N-(1,3-thiazol-2-ylmethyl)acetamide
CID 177244063
N-tert-butyl-2-(1,3-thiazol-2-ylmethylamino)acetamide
CID 78969112
methyl 2-(1,3-thiazol-2-ylmethylamino)-1,3-thiazole-4-carboxylate
CID 115423892
methyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate
CID 116987083

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid?
The IUPAC name of 3-methoxy-2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid (CID 115000886) is 3-methoxy-2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid.
What is the SMILES notation for 3-methoxy-2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid?
The canonical SMILES for 3-methoxy-2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid is COCC(C)(NCc1nccs1)C(=O)O.
What is the InChIKey of 3-methoxy-2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid?
The InChIKey is MMCPPPWPVDOTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-9(6-14-2,8(12)13)11-5-7-10-3-4-15-7/h3-4,11H,5-6H2,1-2H3,(H,12,13).
What are the key properties of 3-methoxy-2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid?
3-methoxy-2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid has a molecular weight of 230.29 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid is sourced from PubChem (CID 115000886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).