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

C9H14N2O3S — CID 103243312

IUPAC3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanoic acid
SMILESCOCC(NCc1csc(C)n1)C(=O)O
InChIInChI=1S/C9H14N2O3S/c1-6-11-7(5-15-6)3-10-8(4-14-2)9(12)13/h5,8,10H,3-4H2,1-2H3,(H,12,13)
InChIKeyVTHIGHFTZYOPHU-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.64
Rot. Bonds6

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

3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanoic acid (PubChem CID 103243312) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanoic acid
PubChem CID103243312
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanoic acid
SMILESCOCC(NCc1csc(C)n1)C(=O)O
InChIInChI=1S/C9H14N2O3S/c1-6-11-7(5-15-6)3-10-8(4-14-2)9(12)13/h5,8,10H,3-4H2,1-2H3,(H,12,13)
InChIKeyVTHIGHFTZYOPHU-UHFFFAOYSA-N
XLogP0.64
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 ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide
CID 61284998
(2R)-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]butanoic acid
CID 28819853
4-methoxy-2-[4-(2-methyl-1,3-thiazol-4-yl)butanoylamino]butanoic acid
CID 120702123
3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-oxopropanoic acid
CID 103973317
3-methoxy-2-(1,2-oxazol-3-ylmethylamino)propanoic acid
CID 103259741
3-methoxy-2-[(5-methylthiophen-2-yl)methylamino]propanoic acid
CID 103248296
(2S)-4-methoxy-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-4-oxobutanoic acid
CID 63307024
2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 108760194
4-methoxy-2-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoylamino]butanoic acid
CID 62478952
1-ethoxy-3-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-2-amine
CID 103271203
2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 63680112
(E)-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]prop-2-enoic acid
CID 103243342

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanoic acid?
The IUPAC name of 3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanoic acid (CID 103243312) is 3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanoic acid?
The canonical SMILES for 3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanoic acid is COCC(NCc1csc(C)n1)C(=O)O.
What is the InChIKey of 3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanoic acid?
The InChIKey is VTHIGHFTZYOPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-6-11-7(5-15-6)3-10-8(4-14-2)9(12)13/h5,8,10H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanoic acid?
3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanoic acid has a molecular weight of 230.29 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanoic acid is sourced from PubChem (CID 103243312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).