Basic information
- CAS
27527-05-5- Standard SMILES
N[C@@H](CC1CCCCC1)C(=O)O- InChIKey
ORQXBVXKBGUSBA-QMMMGPOBSA-N- Molecular formula
- C9H17NO2
- Average molar mass
- 171.24 g/mol
- Monoisotopic mass
- 171.12592878
Names & identifiers
- Preferred name
- 3-Cyclohexyl-L-alanine
- IUPAC
- (2S)-2-amino-3-cyclohexylpropanoic acid
- English name
- L-Cyclohexylalanine
- Molecular formula
- C9H17NO2
- Molecular weight
- 171.24
Names & synonyms
3-Cyclohexyl-L-alanine(2S)-2-amino-3-cyclohexylpropanoic acidBETA-CYCLOHEXYL-ALANINERefChem:50081427527-05-5(S)-2-amino-3-cyclohexylpropanoic acidL-CyclohexylalanineL-3-Cyclohexylalaninebeta-cyclohexyl-l-alanine(S)-CYCLOHEXYLALANINEMFCD00153484Cyclohexanepropanoic acid, alpha-amino-, (alphaS)-
Show more names
H-L-CHA-OHL-CHACha-OHL-CHA-OH2-AMINO-3-CYCLOHEXYLPROPANOIC ACIDH-CHA-OHH-CHA-OH HCL
GYR4SF0FVQ3-Cyclohexylalanine, L-CHEMBL3832082-AMINO-3-CYCLOHEXYL-PROPIONIC ACID3-cyclohexylalanineb-cyclohexyl alaninebeta-cyclohexylalanine(S)-2-amino-3-cyclohexylpropanoicacid
Database identifiers
- CAS
27527-05-5- PubChem CID
- 712421
- DTXSID
DTXSID60351883- ChEMBL
CHEMBL383208- UNII
- GYR4SF0FVQ
- EC Number
- 839-318-7
- Nikkaji
- J88.501K
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 153
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 322 °C · 322 °C
- Boiling point
- 307.1 · 307.1±25.0 °C(Predicted)
- Density
- 1.075 · 1.075±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- pka
- 2.33 · 2.33±0.10(Predicted)
- form
- Solid
- color
- White to off-white
- InChI
- InChI=1/C9H17NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8H,1-6,10H2,(H,11,12)/t8-/s3
- InChIKey
- ORQXBVXKBGUSBA-SBYBRXNCNA-N
- SMILES
- C1(CCCCC1)C[C@H](N)C(=O)O |&1:7,r|
- CAS DataBase Reference
- 27527 · 27527-05-5(CAS DataBase Reference)
- FDA UNII
- 4 SF0FVQ · GYR4SF0FVQ
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 10
- wgk
- 3
- hs_code
- 2922498590
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 22-24/25-37/39-26
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
DescriptionL-Cyclohexylalanine is a kind of amino acid analog. It has some pharmacological effects. Study has shown that some of its derivatives exhibit potent bactericidal activity against drug-resistant gram-positive pathogens. Its derivatives can also act as dipeptidyl peptidase-IV inhibitor, which can be used for the treatment or prevention of diabetes.
Uses(S)-(+)-Cyclohexylalanine
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers101 total
北京华美互利生物化工010-56205725 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
武汉欣扬瑞和化学科技有限公司
Related reactions
42 records
Compound notes
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