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1260835-75-3 | 3-Pyrrolidinecarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-
CAS No: 1260835-75-3 Catalog No: AG000RF7 MDL No:
Product Description
Catalog Number:
AG000RF7
Chemical Name:
3-Pyrrolidinecarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-
CAS Number:
1260835-75-3
Molecular Formula:
C10H18N2O4
Molecular Weight:
230.2609
IUPAC Name:
4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C10H18N2O4/c1-10(2,3)16-9(15)12-7-5-11-4-6(7)8(13)14/h6-7,11H,4-5H2,1-3H3,(H,12,15)(H,13,14)
InChI Key:
OPDSFFRCDJDVQN-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CNCC1C(=O)O
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.127g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
230.264g/mol
Monoisotopic Mass:
230.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
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