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N-Propargylglycine

CAT: 0013-GTR19240253-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19240253-01Size:10 mg
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Description
N-Propargylglycine is an orally bioavailable, irreversible inhibitor of proline dehydrogenase (PRODH) . It is used in cancer research for its antitumor properties and in neuroscience studies investigating neurodegenerative disease models, both in vitro and in vivo.
CAS Number
58160-95-5
Field of Research
Immunology & Inflammation
Smiles
O=C (O) CNCC#C
Molecular Formula
C5H7NO2
Molecular Weight
113.12
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Acetic acid, 2-(prop-2-ynylamino)-

Acetic acid, 2-(prop-2-ynylamino)- is an organic molecular entity.

CAS Number58160-95-5
PubChem CID185909
IUPAC Name2-(prop-2-ynylamino)acetic acid
Molecular FormulaC5H7NO2
Molecular Weight113.11
XLogP-1.8
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity122
SMILES
C#CCNCC(=O)O
InChI
InChI=1S/C5H7NO2/c1-2-3-6-4-5(7)8/h1,6H,3-4H2,(H,7,8)
InChIKey
XSJLQGMTIHCDSS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acetic acid, 2-(prop-2-ynylamino)-
CAS: 58160-95-5
CID: 185909
Formula: C5H7NO2
MW: 113.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight113.11
XLogP3-1.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass113.047678466
Monoisotopic Mass113.047678466
Topological Polar Surface Area49.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity122
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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