(S)-2-(Fmoc-amino)-4-iodobutanoic acid
Basic information
- CAS
1932598-55-4- Standard SMILES
O=C(N[C@@H](CCI)C(=O)O)OCC1c2ccccc2-c2ccccc21- InChIKey
WUMHLUDKFHNQNJ-KRWDZBQOSA-N- Molecular formula
- C19H18INO4
- Average molar mass
- 451.3 g/mol
Names & identifiers
- Preferred name
- (S)-2-(Fmoc-amino)-4-iodobutanoic acid
- IUPAC
- (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-iodobutanoic acid
- English name
- (S)-2-(Fmoc-amino)-4-iodobutanoic acid
- Molecular formula
- C19H18INO4
- Molecular weight
- 451.26
Names & synonyms
1932598-55-4(S)-2-(Fmoc-amino)-4-iodobutanoic acid(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-iodobutanoic acidMFCD25541685Fmoc-Abu(I)-OHSCHEMBL21639208AT42224SY386604CS-0439279(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-iodobutanoic acidButanoic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4-iodo-, (2S)-
Database identifiers
- CAS
1932598-55-4
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 464
Physicochemical properties
- Boiling point
- 596.2 · 596.2±50.0 °C(Predicted)
- Density
- 1.622 · 1.622±0.06 g/cm3(Predicted)
- pka
- 3.65 · 3.65±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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