[2-(2-Amino-acetylamino)-cyclohexyl]-methyl-carbamic acid tert-butyl ester
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Basic information
- CAS
1353980-91-2- Standard SMILES
CN(C(=O)OC(C)(C)C)C1CCCCC1NC(=O)CN- InChIKey
ISTQEHSNHMVKSU-UHFFFAOYSA-N- Molecular formula
- C14H27N3O3
- Average molar mass
- 285.38 g/mol
- Monoisotopic mass
- 285.20524173
Names & identifiers
- Preferred name
- [2-(2-Amino-acetylamino)-cyclohexyl]-methyl-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[2-[(2-aminoacetyl)amino]cyclohexyl]-N-methylcarbamate
- English name
- [2-(2-AMino-acetylaMino)-cyclohexyl]-Methyl-carbaMic acid tert-butyl ester
- Molecular formula
- C14H27N3O3
- Molecular weight
- 285.38
Names & synonyms
1353980-91-2[2-(2-Amino-acetylamino)-cyclohexyl]-methyl-carbamic acid tert-butyl estertert-Butyl (2-(2-aminoacetamido)cyclohexyl)(methyl)carbamatetert-butyl N-[2-[(2-aminoacetyl)amino]cyclohexyl]-N-methylcarbamateDTXSID601123829DB-249279tert-Butyl [2-(glycylamino)cyclohexyl]methylcarbamatetert-Butyl(2-(2-aminoacetamido)cyclohexyl)(methyl)carbamatetert-butyl N-[2-[(2-aminoacetyl)amino]cyclohexyl]-N-methyl-carbamateCarbamic acid, N-[2-[(2-aminoacetyl)amino]cyclohexyl]-N-methyl-, 1,1-dimethylethyl ester
Database identifiers
- CAS
1353980-91-2- PubChem CID
- 66566201
- DTXSID
DTXSID601123829
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 352
Physicochemical properties
- Boiling point
- 446.9 · 446.9±44.0 °C(Predicted)
- Density
- 1.09 · 1.09±0.1 g/cm3(Predicted)
- pka
- 14.53 · 14.53±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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