Home Carbonyls 2-Pyrrolidinepropanoic acid, 1-[(1,1-dimethylethoxy)carbonyl]-β-methoxy-α-methyl-, (αR,βR,2S)-, compd. with N-cyclohexylcyclohexanamine (1:1)

2-Pyrrolidinepropanoic acid, 1-[(1,1-dimethylethoxy)carbonyl]-β-methoxy-α-methyl-, (αR,βR,2S)-, compd. with N-cyclohexylcyclohexanamine (1:1)

CAS No.:
1369427-40-6
Catalog Number:
AG00ILZU
Molecular Formula:
C26H48N2O5
Molecular Weight:
468.6697
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Product Description
Catalog Number:
AG00ILZU
Chemical Name:
2-Pyrrolidinepropanoic acid, 1-[(1,1-dimethylethoxy)carbonyl]-β-methoxy-α-methyl-, (αR,βR,2S)-, compd. with N-cyclohexylcyclohexanamine (1:1)
CAS Number:
1369427-40-6
Molecular Formula:
C26H48N2O5
Molecular Weight:
468.6697
MDL Number:
MFCD31560448
IUPAC Name:
N-cyclohexylcyclohexanamine;(2R,3R)-3-methoxy-2-methyl-3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid
InChI:
InChI=1S/C14H25NO5.C12H23N/c1-9(12(16)17)11(19-5)10-7-6-8-15(10)13(18)20-14(2,3)4;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h9-11H,6-8H2,1-5H3,(H,16,17);11-13H,1-10H2/t9-,10+,11-;/m1./s1
InChI Key:
PKZALTWOMMNNOL-QJQMQQLTSA-N
SMILES:
C1CCC(CC1)NC1CCCCC1.CO[C@@H]([C@@H]1CCCN1C(=O)OC(C)(C)C)[C@H](C(=O)O)C
Properties
Complexity:
479  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
468.356g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
468.679g/mol
Monoisotopic Mass:
468.356g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties