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5-Hydroxymethyl-Proline

CAT: 1596-AR-P02967-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P02967-02Size:25 Units
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CAS Number
61500-97-8
Synonyms
(2S) -5- (hydroxymethyl) pyrrolidine-2-carboxylic acid
Molecular Formula
C6H11NO3
Molecular Weight
145.16
API Name
Proline

Chemical Information

5-(Hydroxymethyl)-L-proline
CAS Number61500-97-8
PubChem CID71395202
IUPAC Name(2S)-5-(hydroxymethyl)pyrrolidine-2-carboxylic acid
Molecular FormulaC6H11NO3
Molecular Weight145.16
XLogP-3
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity137
SMILES
C1CC(N[C@@H]1C(=O)O)CO
InChI
InChI=1S/C6H11NO3/c8-3-4-1-2-5(7-4)6(9)10/h4-5,7-8H,1-3H2,(H,9,10)/t4?,5-/m0/s1
InChIKey
DVMUWLPFHMMTAX-AKGZTFGVSA-N
Chemical Structure
2D Structure
2D structure of 5-(Hydroxymethyl)-L-proline
CAS: 61500-97-8
CID: 71395202
Formula: C6H11NO3
MW: 145.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight145.16
XLogP3-3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass145.07389321
Monoisotopic Mass145.07389321
Topological Polar Surface Area69.6 Ų
Heavy Atom Count10
Formal Charge0
Complexity137
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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