[4-(2-Amino-acetylamino)-cyclohexyl]-isopropyl-carbamic acid tert-butyl ester
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Basic information
- CAS
1353973-09-7- Standard SMILES
CC(C)N(C(=O)OC(C)(C)C)C1CCC(NC(=O)CN)CC1- InChIKey
ATIZSGOWKDTQIO-UHFFFAOYSA-N- Molecular formula
- C16H31N3O3
- Average molar mass
- 313.44 g/mol
- Monoisotopic mass
- 313.23654186
Names & identifiers
- Preferred name
- [4-(2-Amino-acetylamino)-cyclohexyl]-isopropyl-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[4-[(2-aminoacetyl)amino]cyclohexyl]-N-propan-2-ylcarbamate
- English name
- [4-(2-AMino-acetylaMino)-cyclohexyl]-isopropyl-carbaMic acid tert-butyl ester
- Molecular formula
- C16H31N3O3
- Molecular weight
- 313.44
Names & synonyms
1353973-09-7[4-(2-Amino-acetylamino)-cyclohexyl]-isopropyl-carbamic acid tert-butyl estertert-Butyl (4-(2-aminoacetamido)cyclohexyl)(isopropyl)carbamate(1R,4R)-[4-(2-Amino-acetylamino)-cyclohexyl]-isopropyl-carbamic acid tert-butyl esterMFCD21094780tert-Butyl(4-(2-aminoacetamido)cyclohexyl)(isopropyl)carbamatetert-butyl N-[4-[(2-aminoacetyl)amino]cyclohexyl]-N-isopropyl-carbamatetert-butyl N-[4-[(2-aminoacetyl)amino]cyclohexyl]-N-propan-2-ylcarbamateCarbamic acid, N-[4-[(2-aminoacetyl)amino]cyclohexyl]-N-(1-methylethyl)-, 1,1-dimethylethyl ester
Database identifiers
- CAS
1353973-09-7- PubChem CID
- 66566230
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 383
Physicochemical properties
- Boiling point
- 465.1 · 465.1±44.0 °C(Predicted)
- Density
- 1.06 · 1.06±0.1 g/cm3(Predicted)
- pka
- 14.74 · 14.74±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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