Basic information
- CAS
13485-59-1- Standard SMILES
C[C@H](N)C(=O)N1CCC[C@H]1C(=O)O- InChIKey
WPWUFUBLGADILS-WDSKDSINSA-N- Molecular formula
- C8H14N2O3
- Average molar mass
- 186.21 g/mol
- Monoisotopic mass
- 186.10044231
Overview
Ala-Pro is a dipeptide composed of L-alanine and L-proline joined by a peptide linkage. It has a role as a metabolite. It is functionally related to a L-alanine and a L-proline. It is a tautomer of an Ala-Pro zwitterion.
Names & identifiers
- Preferred name
- L-Alanyl-L-proline
- IUPAC
- (2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylic acid
- English name
- L-Alanyl-L-proline
- Molecular formula
- C8H14N2O3
- Molecular weight
- 186.21
Names & synonyms
L-Alanyl-L-proline13485-59-1AlanylprolineALA-PROC6G5K79L0OCHEBI:73393DTXSID20872180NSC-97932RefChem:553259DTXCID50221607DTXSID70864414DTXCID301768654
Show more names
Ala-Pro-OHAla-L-Pro-OHL-Ala-Pro-OHL-ALA-PRO H2OL-Ala-L-Pro-OHALANINE-PROLINE
236-795-8(S)-1-((S)-2-Aminopropanoyl)pyrrolidine-2-carboxylic acidH-Ala-Pro-OHL-Proline, L-alanyl-MFCD00037332Ala-Pro hydrate(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylic acidL-Ala-L-Pro
Database identifiers
- CAS
13485-59-1- PubChem CID
- 83525
- DTXSID
DTXSID20872180- ChEMBL
CHEMBL414828- ChEBI
CHEBI:73393- UNII
- C6G5K79L0O
- EC Number
- 236-795-8
- Nikkaji
- J81.627B
Properties
Computed structural properties
- XLogP
- -2.7
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 229
Experimental & physicochemical properties
LogP-3.11
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 170 · 170-178 °C
- Boiling point
- 403.8 · 403.8±40.0 °C(Predicted)
- Density
- 1.294 · 1.294±0.06 g/cm3(Predicted)
- refractive index
- -112 ° · -112 ° (C=2, H2O)
- storage temp.
- -20 °C · -20°C
- solubility
- Methanol (Slightly), Water (Slightly)
- pka
- 3.19 · 3.19±0.20(Predicted)
- form
- Solid
- color
- White to Off-White
- optical activity
- -104.6 ° · -104.6°(C=1.16g/100mL , H2O, 20°C, 589nm)
- Water Solubility
- within almost transparency
- BRN
- 3546017 · 3546017
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (12 of 12) of all reports.
Not Classified
Aggregated GHS information provided per 12 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- F
- 10-21
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29339900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesL-Alanyl-L-proline is a dipeptide that contains a sterically constrained proline, a well-known turn inducer in proteins.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
Related reactions
57 records
Compound notes
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