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H-Pro-Ala-OH

CAT: 0572-TRC-P642250-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P642250-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6422-36-2
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
C[C@H](NC([C@@H]1CCCN1)=O)C(O)=O
Molecular Formula
C8H14N2O3
Molecular Weight
186.21
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

L-Prolyl-L-alanine

Pro-Ala is a dipeptide formed from L-proline and L-alanine residues. It has a role as a metabolite. It is a tautomer of a Pro-Ala zwitterion.

CAS Number6422-36-2
PubChem CID6347578
IUPAC Name(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid
Molecular FormulaC8H14N2O3
Molecular Weight186.21
XLogP-3.7
Topological Polar Surface Area78.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity217
SMILES
C[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1
InChI
InChI=1S/C8H14N2O3/c1-5(8(12)13)10-7(11)6-3-2-4-9-6/h5-6,9H,2-4H2,1H3,(H,10,11)(H,12,13)/t5-,6-/m0/s1
InChIKey
FELJDCNGZFDUNR-WDSKDSINSA-N
Chemical Structure
2D Structure
2D structure of L-Prolyl-L-alanine
CAS: 6422-36-2
CID: 6347578
Formula: C8H14N2O3
MW: 186.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight186.21
XLogP3-3.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass186.10044231
Monoisotopic Mass186.10044231
Topological Polar Surface Area78.4 Ų
Heavy Atom Count13
Formal Charge0
Complexity217
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes