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Ac-nle-oh

CAS No.:
15891-49-3
Catalog Number:
AG001R0S
Molecular Formula:
C8H15NO3
Molecular Weight:
173.2096
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$19
- +
5g
95%
In Stock USA
United States
$69
- +
25g
95%
In Stock USA
United States
$275
- +
Product Description
Catalog Number:
AG001R0S
Chemical Name:
Ac-nle-oh
CAS Number:
15891-49-3
Molecular Formula:
C8H15NO3
Molecular Weight:
173.2096
MDL Number:
MFCD00151961
IUPAC Name:
(2S)-2-acetamidohexanoic acid
InChI:
InChI=1S/C8H15NO3/c1-3-4-5-7(8(11)12)9-6(2)10/h7H,3-5H2,1-2H3,(H,9,10)(H,11,12)/t7-/m0/s1
InChI Key:
JDMCEGLQFSOMQH-ZETCQYMHSA-N
SMILES:
CCCC[C@@H](C(=O)O)NC(=O)C
UNII:
K3C0BA9GFO
Properties
Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
173.105g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
173.212g/mol
Monoisotopic Mass:
173.105g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
Mercapturic acids (N-acetylcysteine S-conjugates) as endogenous substrates for the renal organic anion transporter-1. Molecular pharmacology 20011101
Properties