Home Carbonyls 2-{[(tert-butoxy)carbonyl]amino}-3-(oxolan-3-yl)propanoic acid

2-{[(tert-butoxy)carbonyl]amino}-3-(oxolan-3-yl)propanoic acid

CAS No.:
1404754-54-6
Catalog Number:
AG01DTC2
Molecular Formula:
C12H21NO5
Molecular Weight:
259.2988
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Product Description
Catalog Number:
AG01DTC2
Chemical Name:
2-{[(tert-butoxy)carbonyl]amino}-3-(oxolan-3-yl)propanoic acid
CAS Number:
1404754-54-6
Molecular Formula:
C12H21NO5
Molecular Weight:
259.2988
MDL Number:
MFCD18375006
IUPAC Name:
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(oxolan-3-yl)propanoic acid
InChI:
InChI=1S/C12H21NO5/c1-12(2,3)18-11(16)13-9(10(14)15)6-8-4-5-17-7-8/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15)
InChI Key:
YNYWZOUUORFIOY-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC(C(=O)O)CC1CCOC1
Properties
Complexity:
310  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.142g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
259.302g/mol
Monoisotopic Mass:
259.142g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties