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885276-37-9 | 2-(3-((tert-Butoxycarbonyl)amino)pyrrolidin-1-yl)-2-(furan-2-yl)acetic acid
CAS No: 885276-37-9 Catalog No: AG0045G5 MDL No:MFCD04115184
Product Description
Catalog Number:
AG0045G5
Chemical Name:
2-(3-((tert-Butoxycarbonyl)amino)pyrrolidin-1-yl)-2-(furan-2-yl)acetic acid
CAS Number:
885276-37-9
Molecular Formula:
C15H22N2O5
Molecular Weight:
310.3456
MDL Number:
MFCD04115184
IUPAC Name:
2-(furan-2-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]acetic acid
InChI:
InChI=1S/C15H22N2O5/c1-15(2,3)22-14(20)16-10-6-7-17(9-10)12(13(18)19)11-5-4-8-21-11/h4-5,8,10,12H,6-7,9H2,1-3H3,(H,16,20)(H,18,19)
InChI Key:
VONCPENVVZDUOZ-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCN(C1)C(c1ccco1)C(=O)O
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.153g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
310.35g/mol
Monoisotopic Mass:
310.153g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
92A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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