2-[(2-methylpropan-2-yl)oxycarbonyl-(1,3-thiazol-5-yl)amino]acetic acid

C10H14N2O4S — CID 22135181

IUPAC2-[(2-methylpropan-2-yl)oxycarbonyl-(1,3-thiazol-5-yl)amino]acetic acid
SMILESCC(C)(C)OC(=O)N(CC(=O)O)c1cncs1
InChIInChI=1S/C10H14N2O4S/c1-10(2,3)16-9(15)12(5-8(13)14)7-4-11-6-17-7/h4,6H,5H2,1-3H3,(H,13,14)
InChIKeyNUHCEUOZEDEOOF-UHFFFAOYSA-N
MW258.30 g/mol
LogP1.97
Rot. Bonds3

About 2-[(2-methylpropan-2-yl)oxycarbonyl-(1,3-thiazol-5-yl)amino]acetic acid

2-[(2-methylpropan-2-yl)oxycarbonyl-(1,3-thiazol-5-yl)amino]acetic acid (PubChem CID 22135181) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonyl-(1,3-thiazol-5-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonyl-(1,3-thiazol-5-yl)amino]acetic acid
PubChem CID22135181
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonyl-(1,3-thiazol-5-yl)amino]acetic acid
SMILESCC(C)(C)OC(=O)N(CC(=O)O)c1cncs1
InChIInChI=1S/C10H14N2O4S/c1-10(2,3)16-9(15)12(5-8(13)14)7-4-11-6-17-7/h4,6H,5H2,1-3H3,(H,13,14)
InChIKeyNUHCEUOZEDEOOF-UHFFFAOYSA-N
XLogP1.97
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyl-(1,3-thiazol-5-yl)amino]acetic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyl-(1,3-thiazol-5-yl)amino]acetic acid (CID 22135181) is 2-[(2-methylpropan-2-yl)oxycarbonyl-(1,3-thiazol-5-yl)amino]acetic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonyl-(1,3-thiazol-5-yl)amino]acetic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonyl-(1,3-thiazol-5-yl)amino]acetic acid is CC(C)(C)OC(=O)N(CC(=O)O)c1cncs1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonyl-(1,3-thiazol-5-yl)amino]acetic acid?
The InChIKey is NUHCEUOZEDEOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-10(2,3)16-9(15)12(5-8(13)14)7-4-11-6-17-7/h4,6H,5H2,1-3H3,(H,13,14).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonyl-(1,3-thiazol-5-yl)amino]acetic acid?
2-[(2-methylpropan-2-yl)oxycarbonyl-(1,3-thiazol-5-yl)amino]acetic acid has a molecular weight of 258.30 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonyl-(1,3-thiazol-5-yl)amino]acetic acid is sourced from PubChem (CID 22135181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).