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Penicillamine

CAT: 1596-AR-P01382-03Size: 150Dry Ice: NoHazardous: No
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CAT#:1596-AR-P01382-03Size:150
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CAS Number
52-67-5
Synonyms
(S) -2-amino-3-mercapto-3-methylbutanoic acid;3-Mercapto-D-valine; (2S) -2-Amino-3-methyl-3-sulfanylbutanoic Acid; (S) -3,3-Dimethylcysteine; Cuprenil; Cuprimine; Cupripen; D-3-Mercaptovaline; D-Mercaptovaline; D-Penamine; Depamine; Depen; Kuprenil; Mercaptyl; Metalcaptase; D-Penicillamine
Molecular Formula
C5H11NO2S
Molecular Weight
149.21
API Name
Penicillamine

Chemical Information

Penicillamine

Penicillamine can cause developmental toxicity according to state or federal government labeling requirements.

CAS Number52-67-5
PubChem CID5852
IUPAC Name(2S)-2-amino-3-methyl-3-sulfanylbutanoic acid
Molecular FormulaC5H11NO2S
Molecular Weight149.21
XLogP-1.8
Topological Polar Surface Area64.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity124
SMILES
CC(C)([C@H](C(=O)O)N)S
InChI
InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m0/s1
InChIKey
VVNCNSJFMMFHPL-VKHMYHEASA-N
Chemical Structure
2D Structure
2D structure of Penicillamine
CAS: 52-67-5
CID: 5852
Formula: C5H11NO2S
MW: 149.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight149.21
XLogP3-1.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass149.05104977
Monoisotopic Mass149.05104977
Topological Polar Surface Area64.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity124
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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HY-B0300-01Penicillamine
FP30177-01DL-Penicillamine
P107-1GD-Penicillamine
464416Penicillamine-d3
HY-116073-01L-Penicillamine
TYD-04064-01Penicillamine-CoA
sc-257643L- (+) -Penicillamine
M14865-01D- (-) -Penicillamine
HY-B0300R-01Penicillamine (Standard)

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