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Home Other Building Blocks (S)-2-(3-Methylbutanamido)pentanedioic acid

(S)-2-(3-Methylbutanamido)pentanedioic acid

CAS No.:
80154-63-8
Catalog Number:
AG0036HA
Molecular Formula:
C10H17NO5
Molecular Weight:
231.2457
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$500
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Product Description
Catalog Number:
AG0036HA
Chemical Name:
(S)-2-(3-Methylbutanamido)pentanedioic acid
CAS Number:
80154-63-8
Molecular Formula:
C10H17NO5
Molecular Weight:
231.2457
MDL Number:
MFCD12795615
IUPAC Name:
(2S)-2-(3-methylbutanoylamino)pentanedioic acid
InChI:
InChI=1S/C10H17NO5/c1-6(2)5-8(12)11-7(10(15)16)3-4-9(13)14/h6-7H,3-5H2,1-2H3,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1
InChI Key:
HCVIJONZMYVLAW-ZETCQYMHSA-N
SMILES:
CC(CC(=O)N[C@H](C(=O)O)CCC(=O)O)C
Properties
Complexity:
274  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
231.111g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
231.248g/mol
Monoisotopic Mass:
231.111g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  
Literature
Title Journal
Metabonomics analysis of urine and plasma from rats given long-term and low-dose dimethoate by ultra-performance liquid chromatography-mass spectrometry. Chemico-biological interactions 20120930
Properties