Home Carbonyls 2-(4-{[(tert-butoxy)carbonyl]amino}piperidin-1-yl)acetic acid hydrate

2-(4-{[(tert-butoxy)carbonyl]amino}piperidin-1-yl)acetic acid hydrate

CAS No.:
1803593-59-0
Catalog Number:
AG01BFHR
Molecular Formula:
C12H24N2O5
Molecular Weight:
276.3294
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Product Description
Catalog Number:
AG01BFHR
Chemical Name:
2-(4-{[(tert-butoxy)carbonyl]amino}piperidin-1-yl)acetic acid hydrate
CAS Number:
1803593-59-0
Molecular Formula:
C12H24N2O5
Molecular Weight:
276.3294
MDL Number:
MFCD28118601
IUPAC Name:
2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetic acid;hydrate
InChI:
InChI=1S/C12H22N2O4.H2O/c1-12(2,3)18-11(17)13-9-4-6-14(7-5-9)8-10(15)16;/h9H,4-8H2,1-3H3,(H,13,17)(H,15,16);1H2
InChI Key:
LZUSXJNWZMBMHV-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCN(CC1)CC(=O)O.O
Properties
Complexity:
304  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.169g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
276.333g/mol
Monoisotopic Mass:
276.169g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
79.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties