Home Carbonyls L-Valine, n-[(1,1-dimethylethoxy)carbonyl]-3-methyl-, methyl ester

L-Valine, n-[(1,1-dimethylethoxy)carbonyl]-3-methyl-, methyl ester

CAS No.:
176504-88-4
Catalog Number:
AG00BACT
Molecular Formula:
C12H23NO4
Molecular Weight:
245.3153
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$240
- +
5g
95%
In Stock USA
United States
$840
- +
10g
95%
In Stock USA
United States
$1394
- +
Product Description
Catalog Number:
AG00BACT
Chemical Name:
L-Valine, n-[(1,1-dimethylethoxy)carbonyl]-3-methyl-, methyl ester
CAS Number:
176504-88-4
Molecular Formula:
C12H23NO4
Molecular Weight:
245.3153
MDL Number:
MFCD11113188
IUPAC Name:
methyl (2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
InChI:
InChI=1S/C12H23NO4/c1-11(2,3)8(9(14)16-7)13-10(15)17-12(4,5)6/h8H,1-7H3,(H,13,15)/t8-/m1/s1
InChI Key:
NDACBWZNPPVOJB-MRVPVSSYSA-N
SMILES:
COC(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C
Properties
Complexity:
286  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
245.163g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
245.319g/mol
Monoisotopic Mass:
245.163g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties