Basic information
- CAS
306936-18-5- Standard SMILES
Cc1c(C(=O)O)cc(C(C)(C)C)n1CCCNC(=O)OC(C)(C)C- InChIKey
DIOWQCJIBSMJSL-UHFFFAOYSA-N- Molecular formula
- C18H30N2O4
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.22055744
Names & identifiers
- Preferred name
- 1-{3-[(Tert-butoxycarbonyl)amino]propyl}-5-tert-butyl-2-methyl-1H-pyrrole-3-carboxylic acid
- IUPAC
- 5-tert-butyl-2-methyl-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrrole-3-carboxylic acid
- English name
- 1-{3-[(TERT-BUTOXYCARBONYL)AMINO]PROPYL}-5-(TERT-BUTYL)-2-METHYL-1H-PYRROLE-3-CARBOXYLIC ACID
- Molecular formula
- C18H30N2O4
- Molecular weight
- 338.44
Names & synonyms
306936-18-51-(3-((tert-Butoxycarbonyl)amino)propyl)-5-(tert-butyl)-2-methyl-1H-pyrrole-3-carboxylic acid1-(3-Aminopropyl)-5-tert-butyl-2-methylpyrrole-3-carboxylic acid, N3-BOC protected1-{3-[(TERT-BUTOXYCARBONYL)AMINO]PROPYL}-5-TERT-BUTYL-2-METHYL-1H-PYRROLE-3-CARBOXYLIC ACIDMFCD015672345-tert-butyl-2-methyl-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrrole-3-carboxylic acid1-{3-[(tert-butoxycarbonyl)amino]propyl}-5-(tert-butyl)-2-methyl-1h-pyrrole-3-carboxylic acid1-(3-Aminoprop-1-yl)-5-(tert-butyl)-2-methyl-1H-pyrrole-3-carboxylic acid, 1-BOC protectedDTXSID70370848C18H30N2O4CCG-42312AKOS025393443
Show more names
1H-Pyrrole-3-carboxylic acid, 1-[3-[[(1,1-dimethylethoxy)carbonyl]amino]propyl]-5-(1,1-dimethylethyl)-2-methyl-1-{3-[(tert-Butoxycarbonyl)amino]prop-1-yl}-5-(tert-butyl)-2-methyl-1H-pyrrole-3-carboxylic acid, 3-[5-(tert-Butyl)-3-carboxy-2-methyl-1H-pyrrol-1-yl]propylamine, N-BOC protected
PS-7013SB62073CS-0327988SR-01000632322-11-(3-((tert-Butoxycarbonyl)amino)propyl)-5-(tert-butyl)-2-methyl-1H-pyrrole-3-carboxylicacid1-(3-{[(tert-butoxy)carbonyl]amino}propyl)-5-tert-butyl-2-methyl-1H-pyrrole-3-carboxylic acid2-Methyl-5-(2-methyl-2-propanyl)-1-[3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propyl]-1H-pyrrole-3-carboxylic acid
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 451
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 271 · P271-P261-P280
- HS Code
- 2933998090 · 2933998090
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
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P271-P261-P280
Chemistry & industry
Suppliers7 total
Ryan Scientific, Inc.[email protected]
A.J Chemicals[email protected]
COMBI-BLOCKS[email protected]
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
SYNQUEST[email protected]
APOLLO-NMR[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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