2-[[2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetyl]amino]acetic acid

C10H13N3O5S — CID 43465407

IUPAC2-[[2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetyl]amino]acetic acid
SMILESCc1csc(=O)n1CC(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C10H13N3O5S/c1-6-5-19-10(18)13(6)4-8(15)11-2-7(14)12-3-9(16)17/h5H,2-4H2,1H3,(H,11,15)(H,12,14)(H,16,17)
InChIKeyLYJVYPXLEGWIOM-UHFFFAOYSA-N
MW287.30 g/mol
LogP-1.46
Rot. Bonds6

About 2-[[2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetyl]amino]acetic acid

2-[[2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetyl]amino]acetic acid (PubChem CID 43465407) has the molecular formula C10H13N3O5S and a molecular weight of 287.30 g/mol. Its IUPAC name is 2-[[2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetyl]amino]acetic acid
PubChem CID43465407
Molecular FormulaC10H13N3O5S
Molecular Weight287.30 g/mol
Exact Mass287.06
IUPAC Name2-[[2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetyl]amino]acetic acid
SMILESCc1csc(=O)n1CC(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C10H13N3O5S/c1-6-5-19-10(18)13(6)4-8(15)11-2-7(14)12-3-9(16)17/h5H,2-4H2,1H3,(H,11,15)(H,12,14)(H,16,17)
InChIKeyLYJVYPXLEGWIOM-UHFFFAOYSA-N
XLogP-1.46
TPSA117.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 5-1.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetyl]amino]acetic acid (CID 43465407) is 2-[[2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetyl]amino]acetic acid is Cc1csc(=O)n1CC(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetyl]amino]acetic acid?
The InChIKey is LYJVYPXLEGWIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5S/c1-6-5-19-10(18)13(6)4-8(15)11-2-7(14)12-3-9(16)17/h5H,2-4H2,1H3,(H,11,15)(H,12,14)(H,16,17).
What are the key properties of 2-[[2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetyl]amino]acetic acid?
2-[[2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetyl]amino]acetic acid has a molecular weight of 287.30 g/mol, XLogP of -1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 43465407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).