2-[2-methoxyethyl-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]amino]acetic acid

C11H17N3O4S — CID 79271368

IUPAC2-[2-methoxyethyl-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)NCCc1cscn1
InChIInChI=1S/C11H17N3O4S/c1-18-5-4-14(6-10(15)16)11(17)12-3-2-9-7-19-8-13-9/h7-8H,2-6H2,1H3,(H,12,17)(H,15,16)
InChIKeyVMEJREOBHSZKTC-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.43
Rot. Bonds8

About 2-[2-methoxyethyl-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]amino]acetic acid

2-[2-methoxyethyl-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]amino]acetic acid (PubChem CID 79271368) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]amino]acetic acid
PubChem CID79271368
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name2-[2-methoxyethyl-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)NCCc1cscn1
InChIInChI=1S/C11H17N3O4S/c1-18-5-4-14(6-10(15)16)11(17)12-3-2-9-7-19-8-13-9/h7-8H,2-6H2,1H3,(H,12,17)(H,15,16)
InChIKeyVMEJREOBHSZKTC-UHFFFAOYSA-N
XLogP0.43
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-methoxyethyl(1,3-thiazol-4-ylmethylcarbamoyl)amino]acetic acid
CID 79271168
2-[2-methoxyethyl(1,3-thiazole-4-carbonyl)amino]acetic acid
CID 63023024
2-[2-(dimethylcarbamoylamino)ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 83113976
2-(2-methoxyethylamino)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 79281124
2-[2-acetamidoethylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79269666
2-[2-methoxyethyl-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]amino]acetic acid
CID 79269696
2-[(2-amino-2-oxoethyl)-(1,3-thiazol-4-ylmethylcarbamoyl)amino]acetic acid
CID 107438781
2-[2-methoxyethyl(thiophen-3-ylcarbamoyl)amino]acetic acid
CID 79282464
2-[ethyl-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 63824166
2-[prop-2-ynyl(1,3-thiazol-4-ylmethylcarbamoyl)amino]acetic acid
CID 79282955
2-[2-[cyclopentyl(methyl)amino]ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79271649
3-amino-2-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 106112900

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]amino]acetic acid (CID 79271368) is 2-[2-methoxyethyl-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]amino]acetic acid is COCCN(CC(=O)O)C(=O)NCCc1cscn1.
What is the InChIKey of 2-[2-methoxyethyl-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]amino]acetic acid?
The InChIKey is VMEJREOBHSZKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-18-5-4-14(6-10(15)16)11(17)12-3-2-9-7-19-8-13-9/h7-8H,2-6H2,1H3,(H,12,17)(H,15,16).
What are the key properties of 2-[2-methoxyethyl-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]amino]acetic acid?
2-[2-methoxyethyl-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]amino]acetic acid has a molecular weight of 287.34 g/mol, XLogP of 0.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 79271368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).