4-Methyl-2-(pyrrolidine-2-carbonylamino)pentanoic acid
Basic information
- CAS
52899-07-7- Standard SMILES
CC(C)CC(NC(=O)C1CCCN1)C(=O)O- InChIKey
ZKQOUHVVXABNDG-UHFFFAOYSA-N- Molecular formula
- C11H20N2O3
- Average molar mass
- 228.29 g/mol
- Monoisotopic mass
- 228.1473925
Names & identifiers
- Preferred name
- 4-Methyl-2-(pyrrolidine-2-carbonylamino)pentanoic acid
- IUPAC
- 4-methyl-2-(pyrrolidine-2-carbonylamino)pentanoic acid
- English name
- H-Pro-Leu-OH
- Molecular formula
- C11H20N2O3
- Molecular weight
- 228.29
Names & synonyms
((Benzyloxy)carbonyl)-L-prolyl-D-leucinePro-Leu-OH4-methyl-2-(pyrrolidine-2-carbonylamino)pentanoic acidSCHEMBL3041931ZKQOUHVVXABNDG-UHFFFAOYSA-NAKOS010403666NS00014907ST510150914-methyl-2-(pyrrolidin-2-ylcarbonylamino)pentanoic acidL-Prolyl-L-leucine;(S)-4-Methyl-2-((S)-pyrrolidine-2-carboxamido)pentanoic acidPRO-LEUL-PROLYL-L-LEUCINE
Show more names
H-Pro-Leu-OHH2N-Pro-Leu-OHH2N-Pro-Leu-COOHL-Leucine, L-prolyl-(S)-4-Methyl-2-((S)-pyrrolidine-2-carboxamido)pentanoic acid(R)-4-Methyl-2-((R)-pyrrolidine-2-carboxaMido)pentanoic acid
Database identifiers
- CAS
52899-07-7- PubChem CID
- 3527720
- DTXSID
DTXSID80393341
Properties
Computed structural properties
- XLogP
- -2.4
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Melting point
- 253 · 253-255℃
- Boiling point
- 457.5 · 457.5±45.0 °C(Predicted)
- Density
- 1.126 · 1.126±0.06 g/cm3(Predicted)
- storage temp.
- -15 °C · -15°C
- form
- Solid
- pka
- 3.55 · 3.55±0.21(Predicted)
- color
- White to off-white
- optical activity
- Consistent with structure
- Major Application
- peptide synthesis
- InChI
- 1S/C11H20N2O3/c1-7(2)6-9(11(15)16)13-10(14)8-4-3-5-12-8/h7-9,12H,3-6H2,1-2H3,(H,13,14)(H,15,16)
- InChIKey
- ZKQOUHVVXABNDG-UHFFFAOYSA-N
- SMILES
- CC(C)CC(NC(=O)C1CCCN1)C(O)=O
- UNSPSC Code
- 12352202 · 12352202
- NACRES
- 26 · NA.26
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Usespeptide synthesis
Additional notes
DefinitionChEBI: Pro-Leu is a dipeptide formed from L-proline and L-leucine residues. It has a role as a metabolite.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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