Home Carbonyls Butanoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-, (2S)- (9CI)

Butanoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-, (2S)- (9CI)

CAS No.:
207305-60-0
Catalog Number:
AG00C566
Molecular Formula:
C9H17NO5
Molecular Weight:
219.2350
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Product Description
Catalog Number:
AG00C566
Chemical Name:
Butanoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-, (2S)- (9CI)
CAS Number:
207305-60-0
Molecular Formula:
C9H17NO5
Molecular Weight:
219.2350
MDL Number:
MFCD18835699
IUPAC Name:
(2S)-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
InChI:
InChI=1S/C9H17NO5/c1-9(2,3)15-8(14)10-5-4-6(11)7(12)13/h6,11H,4-5H2,1-3H3,(H,10,14)(H,12,13)/t6-/m0/s1
InChI Key:
POASMXSJVKADPM-LURJTMIESA-N
SMILES:
O[C@H](C(=O)O)CCNC(=O)OC(C)(C)C
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
219.111g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
219.237g/mol
Monoisotopic Mass:
219.111g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties