Home Carbonyls 2-{[(tert-butoxy)carbonyl]amino}-3-(1H-pyrrol-1-yl)propanoic acid

2-{[(tert-butoxy)carbonyl]amino}-3-(1H-pyrrol-1-yl)propanoic acid

CAS No.:
2044712-64-1
Catalog Number:
AG01BXHA
Molecular Formula:
C12H18N2O4
Molecular Weight:
254.2823
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Product Description
Catalog Number:
AG01BXHA
Chemical Name:
2-{[(tert-butoxy)carbonyl]amino}-3-(1H-pyrrol-1-yl)propanoic acid
CAS Number:
2044712-64-1
Molecular Formula:
C12H18N2O4
Molecular Weight:
254.2823
MDL Number:
MFCD30487805
IUPAC Name:
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyrrol-1-ylpropanoic acid
InChI:
InChI=1S/C12H18N2O4/c1-12(2,3)18-11(17)13-9(10(15)16)8-14-6-4-5-7-14/h4-7,9H,8H2,1-3H3,(H,13,17)(H,15,16)
InChI Key:
QAWRHTGRFMGKGW-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC(C(=O)O)Cn1cccc1
Properties
Complexity:
306  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.127g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
254.286g/mol
Monoisotopic Mass:
254.127g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties