4-(3-(3-(Tert-butoxycarbonylamino)-1-hydroxypropyl)phenoxy)butanoic acid
Basic information
- Standard SMILES
CC(C)(C)OC(=O)NCCC(O)c1cccc(OCCCC(=O)O)c1- InChIKey
UPFDAJGWTMCFCB-UHFFFAOYSA-N- Molecular formula
- C18H27NO6
- Average molar mass
- 353.4 g/mol
Names & identifiers
- Preferred name
- 4-(3-(3-(Tert-butoxycarbonylamino)-1-hydroxypropyl)phenoxy)butanoic acid
- IUPAC
- 4-[3-[1-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenoxy]butanoic acid
Names & synonyms
SCHEMBL2206208UPFDAJGWTMCFCB-UHFFFAOYSA-N4-(3-(3-(tert-butoxycarbonylamino)-1-hydroxypropyl)phenoxy) butanoic acid4-(3-(3-(tert-butoxycarbonylamino)-1-hydroxypropyl)phenoxy)butanoic acid
Database identifiers
- PubChem CID
- 67316613
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 420
Related reactions
6 records
Compound notes
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