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140148-70-5 | (S)-1-Boc-Pyrrolidine-3-carboxylic acid
CAS No: 140148-70-5 Catalog No: AG0032HJ MDL No:MFCD03094728
Product Description
Catalog Number:
AG0032HJ
Chemical Name:
(S)-1-Boc-Pyrrolidine-3-carboxylic acid
CAS Number:
140148-70-5
Molecular Formula:
C10H17NO4
Molecular Weight:
215.2463
MDL Number:
MFCD03094728
IUPAC Name:
(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-5-4-7(6-11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)/t7-/m0/s1
InChI Key:
HRMRQBJUFWFQLX-ZETCQYMHSA-N
SMILES:
OC(=O)[C@H]1CCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
215.116g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.249g/mol
Monoisotopic Mass:
215.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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