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1093191-35-5 | 2-tert-butoxycarbonylamino-2-(pyrrolidin-3-yl)acetic acid
CAS No: 1093191-35-5 Catalog No: AG003HXK MDL No:
Product Description
Catalog Number:
AG003HXK
Chemical Name:
2-tert-butoxycarbonylamino-2-(pyrrolidin-3-yl)acetic acid
CAS Number:
1093191-35-5
Molecular Formula:
C11H20N2O4
Molecular Weight:
244.2875
IUPAC Name:
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyrrolidin-3-ylacetic acid
InChI:
InChI=1S/C11H20N2O4/c1-11(2,3)17-10(16)13-8(9(14)15)7-4-5-12-6-7/h7-8,12H,4-6H2,1-3H3,(H,13,16)(H,14,15)
InChI Key:
KJXJJWIMMKIUBW-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC(C1CNCC1)C(=O)O
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
244.291g/mol
Monoisotopic Mass:
244.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
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