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885276-31-3 | 2-(3-((tert-Butoxycarbonyl)amino)pyrrolidin-1-yl)-2-(1H-indol-2-yl)acetic acid
CAS No: 885276-31-3 Catalog No: AG0046BV MDL No:MFCD04115182
Product Description
Catalog Number:
AG0046BV
Chemical Name:
2-(3-((tert-Butoxycarbonyl)amino)pyrrolidin-1-yl)-2-(1H-indol-2-yl)acetic acid
CAS Number:
885276-31-3
Molecular Formula:
C19H25N3O4
Molecular Weight:
359.4195
MDL Number:
MFCD04115182
IUPAC Name:
2-(1H-indol-2-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]acetic acid
InChI:
InChI=1S/C19H25N3O4/c1-19(2,3)26-18(25)20-13-8-9-22(11-13)16(17(23)24)15-10-12-6-4-5-7-14(12)21-15/h4-7,10,13,16,21H,8-9,11H2,1-3H3,(H,20,25)(H,23,24)
InChI Key:
ZAVFIAZABDJRIZ-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCN(C1)C(c1cc2c([nH]1)cccc2)C(=O)O
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.185g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
359.426g/mol
Monoisotopic Mass:
359.185g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
94.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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