Basic information
- CAS
32159-21-0- Standard SMILES
O=C(O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1- InChIKey
VHSFUGXCSGOKJX-JTQLQIEISA-N- Molecular formula
- C13H13NO5
- Average molar mass
- 263.25 g/mol
Names & identifiers
- Preferred name
- 1-(Phenylmethyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate
- IUPAC
- (2S)-5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
- English name
- Z-Pyr-OH
- Molecular formula
- C13H13NO5
- Molecular weight
- 263.25
Names & synonyms
32159-21-0RefChem:10547391-(Phenylmethyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylateZ-PYR-OHCbz-L-pyroglutamic acid(S)-1-(benzyloxycarbonyl)-5-oxopyrrolidine-2-carboxylic acidMFCD00037352(S)-1-((Benzyloxy)carbonyl)-5-oxopyrrolidine-2-carboxylic acid(2S)-5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acidN-Carbobenzoxy-L-pyroglutamic AcidBenzyloxycarbonyl-L-pyroglutamic acidN-Cbz-L-pyroglutamic Acid
Show more names
CBZ-PYR-OHZ-L-Pyr-OHZ-PYROGLUTAMIC ACIDZ-PYRCbz-PyrZ-PGLU-OHCBZ-L-PyrCbz-L-Pyr-OH
CBZ-L-Pyroglu-OHN-BENZYLOXYCARBONYL-L-PYROGLUTAMIC ACID(S)-5-Oxo-pyrrolidine-1,2-dicarboxylic acid 1-benzyl ester(2S)-5-oxo-1-[benzyloxycarbonyl]pyrrolidine-2-carboxylic acidZ-PyroGluZ-Pry-OHSCHEMBL3845188(S)-1-Benzyloxycarbonyl-5-oxopyrrolidine-2-carboxylic acid
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 375
Physicochemical properties
- Melting point
- 128 · 128-130°C
- Boiling point
- 525.4 · 525.4±50.0 °C(Predicted)
- Density
- 1.408 · 1.408±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- DMSO (Slightly), Methanol (Sparingly)
- form
- Solid
- pka
- 3.03 · 3.03±0.20(Predicted)
- color
- White
- InChI
- InChI=1S/C13H13NO5/c15-11-7-6-10(12(16)17)14(11)13(18)19-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,16,17)/t10-/m0/s1
- InChIKey
- VHSFUGXCSGOKJX-JTQLQIEISA-N
- SMILES
- N1(C(OCC2=CC=CC=C2)=O)C(=O)CC[C@H]1C(O)=O
- CAS DataBase Reference
- 32159 · 32159-21-0(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
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
- wgk
- 3
- hs_code
- 29337900
- risk_code
- 22/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25-44-35-28-7-4
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesCbz-L-pyroglutamic Acid, is an amino acid building block used in the synthesis of various compounds, such as 5-Oxo-L-prolyl-L-proline (O859055).
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
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]
江苏吉泰肽业科技有限公司051580855088 18762539991 · [email protected]
上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
Related reactions
14 records
Compound notes
Loading…