2-{[(Tert-butoxy)carbonyl]amino}-2-(1,3-thiazol-4-yl)acetic acid
Basic information
- CAS
74864-32-7- Standard SMILES
CC(C)(C)OC(=O)NC(C(=O)O)c1cscn1- InChIKey
MNEUWKACNDMYIZ-UHFFFAOYSA-N- Molecular formula
- C10H14N2O4S
- Average molar mass
- 258.3 g/mol
- Monoisotopic mass
- 258.06742811
Names & identifiers
- Preferred name
- 2-{[(Tert-butoxy)carbonyl]amino}-2-(1,3-thiazol-4-yl)acetic acid
- IUPAC
- 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(1,3-thiazol-4-yl)acetic acid
- English name
- 4-Thiazoleacetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-
- Molecular formula
- C10H14N2O4S
- Molecular weight
- 258.29
Names & synonyms
74864-32-72-{[(tert-butoxy)carbonyl]amino}-2-(1,3-thiazol-4-yl)acetic acid2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(1,3-thiazol-4-yl)acetic acid2-((tert-Butoxycarbonyl)amino)-2-(thiazol-4-yl)acetic acid2-[[(TERT-BUTOXY)CARBONYL]AMINO]-2-(1,3-THIAZOL-4-YL)ACETIC ACIDSCHEMBL10747780ZCA86432EN300-252163G627412-{[(tert-butoxy)carbonyl]amino}-2-(1,3-thiazol-4-yl)aceticacid4-Thiazoleacetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-
Database identifiers
- CAS
74864-32-7- PubChem CID
- 20163231
- EC Number
- 884-006-6
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Boiling point
- 439.2 · 439.2±40.0 °C(Predicted)
- Density
- 1.323 · 1.323±0.06 g/cm3(Predicted)
- pka
- 3.1 · 3.10±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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