Basic information
- CAS
117322-30-2- Standard SMILES
O=C(NC1(C(=O)O)CCCC1)OCC1c2ccccc2-c2ccccc21- InChIKey
IECZEINPZOFWNU-UHFFFAOYSA-N- Molecular formula
- C21H21NO4
- Average molar mass
- 351.4 g/mol
- Monoisotopic mass
- 351.14705815
Names & identifiers
- Preferred name
- Fmoc-cycloleucine
- IUPAC
- 1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentane-1-carboxylic acid
- English name
- Fmoc-cycloleucine
- Molecular formula
- C21H21NO4
- Molecular weight
- 351.4
Names & synonyms
Fmoc-cycloleucineDTXSID50359656RefChem:1085475DTXCID70310709117322-30-2Fmoc-1-aminocyclopentane-1-carboxylic acid1-(Fmoc-amino)cyclopentanecarboxylic acidFmoc-DL-cycloleucineMFCD01074696Cyclopentanecarboxylic acid, 1-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-Cyclopentanecarboxylicacid, 1-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentane-1-carboxylic Acid
Show more names
Fmoc-cLeu-OHFMOC-CLE-OHFMOC-AC5C-OHCAS:117322-30-2FMOC-NH(1)CPEN-OH1-(Fmoc-amino)cycLRARECHEM EM WB 0031Fmoc-cycloleucine USP/EP/BP
F08661-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)cyclopentane-1-carboxylic acid1-(9H-Fluoren-9-ylmethoxycarbonylamino)-cyclopentane carboxylic acid1-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]cyclopentanecarboxylic Acid1-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclopentane-1-carboxylic acidN1-(9-Fluorenylmethyloxycarbonyl)amino-1-cyclopentane carboxylic acid (Fmoc-AC5C-OH)1-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino]cyclopentanecarboxylic acid1-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}cyclopentanecarboxylic acid
Database identifiers
- CAS
117322-30-2- PubChem CID
- 978345
- DTXSID
DTXSID50359656- EC Number
- 851-210-1
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 520
Physicochemical properties
- Melting point
- 187 °C · 187 °C(dec.)
- Boiling point
- 579.4 · 579.4±29.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- soluble in Dimethylformamide
- form
- powder to crystal
- pka
- 4.08 · 4.08±0.20(Predicted)
- color
- White to Light yellow
- BRN
- 5995036 · 5995036
- CAS DataBase Reference
- 117322 · 117322-30-2(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H402
- Precautionary statements
- 273 · P273-P280-P305+P351+P338
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 29242990 · 29242990
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Warning
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (50%)
Safety data
- wgk
- 3
- hs_code
- 29242990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- hazard_class
- IRRITANT
- Hazard statements
- H319-H402
- Precautionary statements
- P273-P280-P305+P351+P338
Chemistry & industry
Applications
UsesFmoc-cycloleucine is a reagent in the development of selective inhibitors of nuclear hormone receptors.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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Related reactions
4 records
Compound notes
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