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N-(L-Prolyl)-Beta-alanine

CAT: 0572-TRC-P756190-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P756190-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
112558-45-9
Synonyms
N-L-Prolyl-beta-alanine; L-Prolyl-beta-alanine
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
OC(=O)CCNC(=O)[C@@H]1CCCN1
Molecular Formula
C8H14N2O3
Molecular Weight
186.21
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

(S)-3-(Pyrrolidine-2-carboxamido)propanoic acid
CAS Number112558-45-9
PubChem CID12162579
IUPAC Name3-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid
Molecular FormulaC8H14N2O3
Molecular Weight186.21
XLogP-3.1
Topological Polar Surface Area78.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity206
SMILES
C1C[C@H](NC1)C(=O)NCCC(=O)O
InChI
InChI=1S/C8H14N2O3/c11-7(12)3-5-10-8(13)6-2-1-4-9-6/h6,9H,1-5H2,(H,10,13)(H,11,12)/t6-/m0/s1
InChIKey
PALCOTPJCVREEI-LURJTMIESA-N
Chemical Structure
2D Structure
2D structure of (S)-3-(Pyrrolidine-2-carboxamido)propanoic acid
CAS: 112558-45-9
CID: 12162579
Formula: C8H14N2O3
MW: 186.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight186.21
XLogP3-3.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass186.10044231
Monoisotopic Mass186.10044231
Topological Polar Surface Area78.4 Ų
Heavy Atom Count13
Formal Charge0
Complexity206
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
sc-477129N- (L-Prolyl) -β-alanine
239409-01L-Prolyl-L-alanine
FC47678-01Beta-Cyano-L-alanine
270357-01Beta-Cyclohexyl-L-alanine
269715-01-beta-Cyclopentyl-L-alanine
MBS387691-01beta-Chloro-L-alanine
T34023-01Phenylalanyl-prolyl-alanine
459270-01N-L-Prolyl-L-histidine
HY-168761-01N-Cholyl-L-alanine
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