2-ethoxy-3-[methyl(1,3-thiazol-4-ylmethyl)amino]propanoic acid

C10H16N2O3S — CID 63068315

IUPAC2-ethoxy-3-[methyl(1,3-thiazol-4-ylmethyl)amino]propanoic acid
SMILESCCOC(CN(C)Cc1cscn1)C(=O)O
InChIInChI=1S/C10H16N2O3S/c1-3-15-9(10(13)14)5-12(2)4-8-6-16-7-11-8/h6-7,9H,3-5H2,1-2H3,(H,13,14)
InChIKeyGYJCUJIOVORBFQ-UHFFFAOYSA-N
MW244.32 g/mol
LogP1.06
Rot. Bonds7

About 2-ethoxy-3-[methyl(1,3-thiazol-4-ylmethyl)amino]propanoic acid

2-ethoxy-3-[methyl(1,3-thiazol-4-ylmethyl)amino]propanoic acid (PubChem CID 63068315) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-ethoxy-3-[methyl(1,3-thiazol-4-ylmethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-ethoxy-3-[methyl(1,3-thiazol-4-ylmethyl)amino]propanoic acid
PubChem CID63068315
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name2-ethoxy-3-[methyl(1,3-thiazol-4-ylmethyl)amino]propanoic acid
SMILESCCOC(CN(C)Cc1cscn1)C(=O)O
InChIInChI=1S/C10H16N2O3S/c1-3-15-9(10(13)14)5-12(2)4-8-6-16-7-11-8/h6-7,9H,3-5H2,1-2H3,(H,13,14)
InChIKeyGYJCUJIOVORBFQ-UHFFFAOYSA-N
XLogP1.06
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-[methyl(1,3-thiazol-4-ylmethyl)amino]propanoic acid?
The IUPAC name of 2-ethoxy-3-[methyl(1,3-thiazol-4-ylmethyl)amino]propanoic acid (CID 63068315) is 2-ethoxy-3-[methyl(1,3-thiazol-4-ylmethyl)amino]propanoic acid.
What is the SMILES notation for 2-ethoxy-3-[methyl(1,3-thiazol-4-ylmethyl)amino]propanoic acid?
The canonical SMILES for 2-ethoxy-3-[methyl(1,3-thiazol-4-ylmethyl)amino]propanoic acid is CCOC(CN(C)Cc1cscn1)C(=O)O.
What is the InChIKey of 2-ethoxy-3-[methyl(1,3-thiazol-4-ylmethyl)amino]propanoic acid?
The InChIKey is GYJCUJIOVORBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-3-15-9(10(13)14)5-12(2)4-8-6-16-7-11-8/h6-7,9H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 2-ethoxy-3-[methyl(1,3-thiazol-4-ylmethyl)amino]propanoic acid?
2-ethoxy-3-[methyl(1,3-thiazol-4-ylmethyl)amino]propanoic acid has a molecular weight of 244.32 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-[methyl(1,3-thiazol-4-ylmethyl)amino]propanoic acid is sourced from PubChem (CID 63068315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).