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DL-Proline

CAT: 0926-P-7240-03Size: 500 gDry Ice: NoHazardous: No
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CAT#:0926-P-7240-03Size:500 g
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CAS Number
609-36-9
Synonyms
DL-Pyrrolidine-2-carboxylic acid
MDL Number
MFCD00005250
Smiles
OC (C1NCCC1) =O
Molecular Formula
C5H9NO2
Molecular Weight
115.13 g/mol
Controlled
No

Chemical Information

proline dl-form

Proline is an alpha-amino acid that is pyrrolidine bearing a carboxy substituent at position 2. It has a role as a human metabolite and a Daphnia magna metabolite. It is an alpha-amino acid and a member of pyrrolidines. It is a conjugate base of a prolinium. It is a conjugate acid of a prolinate.

CAS Number609-36-9
PubChem CID614
IUPAC Namepyrrolidine-2-carboxylic acid
Molecular FormulaC5H9NO2
Molecular Weight115.13
XLogP-2.5
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count8
Formal Charge0
Complexity103
SMILES
C1CC(NC1)C(=O)O
InChI
InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)
InChIKey
ONIBWKKTOPOVIA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of proline dl-form
CAS: 609-36-9
CID: 614
Formula: C5H9NO2
MW: 115.13
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight115.13
XLogP3-2.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass115.063328530
Monoisotopic Mass115.063328530
Topological Polar Surface Area49.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity103
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes