(R)-Fmoc-2-amino-3,3-dimethyl-pent-4-enoic acid
Basic information
- CAS
1310680-35-3- Standard SMILES
C=CC(C)(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O- InChIKey
KSFBTMRFQUMTJS-IBGZPJMESA-N- Molecular formula
- C22H23NO4
- Average molar mass
- 365.4 g/mol
- Monoisotopic mass
- 365.16270821
Names & identifiers
- Preferred name
- (R)-Fmoc-2-amino-3,3-dimethyl-pent-4-enoic acid
- IUPAC
- (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylpent-4-enoic acid
- English name
- 4-Pentenoic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-3,3-dimethyl-, (2R)-
- Molecular formula
- C22H23NO4
- Molecular weight
- 365.42
Names & synonyms
1310680-35-3(R)-Fmoc-2-amino-3,3-dimethyl-pent-4-enoic acidMFCD18782845SCHEMBL18614294(R)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3,3-dimethylpent-4-enoic acidDTXSID201131496E70882R-Fmoc-2-amino-3,3-dimethyl-pent-4-enoic acid(R)-Fmoc-2-amino-3,3-dimethyl-pent-4-enoicacid2-(Fmoc-amino)-3,3-diMe-pent-4-enoic acid (R)(2R)-2-({[(9H-Fluoren-9-yl)methoxy]carbonyl}amino)-3,3-dimethylpent-4-enoic acid(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethyl-pent-4-enoic acid
Show more names
(R)-2-(Fmoc-amino)-3,3-dimethyl-4-pentenoic acid
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylpent-4-enoic acid4-Pentenoic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-3,3-dimethyl-, (2R)-
Database identifiers
- CAS
1310680-35-3- PubChem CID
- 74788511
- DTXSID
DTXSID201131496
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 551
Physicochemical properties
- Boiling point
- 566.6 · 566.6±45.0 °C(Predicted)
- Density
- 1.202 · 1.202±0.06 g/cm3(Predicted)
- pka
- 3.72 · 3.72±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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