2-(Pyrrolidine-2-carbonylamino)acetic acid
Basic information
- CAS
2578-57-6- Standard SMILES
O=C(O)CNC(=O)C1CCCN1- InChIKey
RNKSNIBMTUYWSH-UHFFFAOYSA-N- Molecular formula
- C7H12N2O3
- Average molar mass
- 172.18 g/mol
- Monoisotopic mass
- 172.08479225
Overview
L-prolyl-L-glycine is a dipeptide.
Names & identifiers
- Preferred name
- 2-(Pyrrolidine-2-carbonylamino)acetic acid
- IUPAC
- 2-(pyrrolidine-2-carbonylamino)acetic acid
- English name
- H-Pro-Gly-OH
- Molecular formula
- C7H12N2O3
- Molecular weight
- 172.18
Names & synonyms
13174-03-32-[(pyrrolidin-2-yl)formamido]acetic acid2-(pyrrolidine-2-carbonylamino)acetic acid2-(Pyrrolidine-2-carboxamido)acetic acidGlycine, L-prolyl-Glycine, N-prolyl- (6CI,7CI,8CI)L-prolyl-L-glycineSCHEMBL620066orb3177710CHEBI:173789RNKSNIBMTUYWSH-UHFFFAOYSA-NNSC89175
Show more names
PRO-GLYprolylglycineL-PRO-GLNH-Pro-Gly-OHL-PROLYLGLYCINEN-prolylglycine(S)-ProlylglycinePRO-GLY MONOHYDRATEPro-Gly-OH≥ 95% (HPLC)
AKOS010405439LS-133032-(pyrrolidin-2-ylcarbonylamino)acetic acidDB-046771NS00014906ST51015090EN300-151470
Database identifiers
- CAS
2578-57-6- PubChem CID
- 98206
- ChEBI
CHEBI:173789
Properties
Computed structural properties
- XLogP
- -3
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Melting point
- 236 ℃ · 236℃
- Boiling point
- 468.5 · 468.5±45.0 °C(Predicted)
- Density
- 1.266 · 1.266±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Keep in dark place,Sealed in dry,Store in freezer, under -20°C
- solubility
- Soluble in DMSO
- form
- Solid
- pka
- 3.51 · 3.51±0.10(Predicted)
- color
- White to off-white
- Major Application
- cell analysis
- InChI
- 1S/C7H12N2O3/c10-6(11)4-9-7(12)5-2-1-3-8-5/h5,8H,1-4H2,(H,9,12)(H,10,11)/t5-/m0/s1
- InChIKey
- RNKSNIBMTUYWSH-YFKPBYRVSA-N
- SMILES
- OC(=O)CNC(=O)[C@@H]1CCCN1
- FDA UNII
- 42521 I3FYC · 42521I3FYC
- UNSPSC Code
- 12352202 · 12352202
- NACRES
- 26 · NA.26
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
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
UsesSubstrate for prolinase (prolyl dipeptidase).
Additional notes
DefinitionChEBI: A dipeptide consisting of glycine having an L-prolyl group attached to its alpha-amino nitrogen.
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Compound notes
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