Home Other Building Blocks 1-{3-[(TERT-BUTOXYCARBONYL)AMINO]PROPYL}-5-(TERT-BUTYL)-2-METHYL-1H-PYRROLE-3-CARBOXYLIC ACID

1-{3-[(TERT-BUTOXYCARBONYL)AMINO]PROPYL}-5-(TERT-BUTYL)-2-METHYL-1H-PYRROLE-3-CARBOXYLIC ACID

CAS No.:
306936-18-5
Catalog Number:
AG00BX62
Molecular Formula:
C18H30N2O4
Molecular Weight:
338.4418
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Product Description
Catalog Number:
AG00BX62
Chemical Name:
1-{3-[(TERT-BUTOXYCARBONYL)AMINO]PROPYL}-5-(TERT-BUTYL)-2-METHYL-1H-PYRROLE-3-CARBOXYLIC ACID
CAS Number:
306936-18-5
Molecular Formula:
C18H30N2O4
Molecular Weight:
338.4418
MDL Number:
MFCD01567234
IUPAC Name:
5-tert-butyl-2-methyl-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrrole-3-carboxylic acid
InChI:
InChI=1S/C18H30N2O4/c1-12-13(15(21)22)11-14(17(2,3)4)20(12)10-8-9-19-16(23)24-18(5,6)7/h11H,8-10H2,1-7H3,(H,19,23)(H,21,22)
InChI Key:
DIOWQCJIBSMJSL-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCCCn1c(C)c(cc1C(C)(C)C)C(=O)O
Properties
Complexity:
451  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.221g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
338.448g/mol
Monoisotopic Mass:
338.221g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties