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

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

CAS No.:
1379870-15-1
Catalog Number:
AG01BRJF
Molecular Formula:
C12H18N2O4
Molecular Weight:
254.2823
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Product Description
Catalog Number:
AG01BRJF
Chemical Name:
2-{[(tert-butoxy)carbonyl]amino}-3-(1H-pyrrol-2-yl)propanoic acid
CAS Number:
1379870-15-1
Molecular Formula:
C12H18N2O4
Molecular Weight:
254.2823
MDL Number:
MFCD09916400
IUPAC Name:
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1H-pyrrol-2-yl)propanoic acid
InChI:
InChI=1S/C12H18N2O4/c1-12(2,3)18-11(17)14-9(10(15)16)7-8-5-4-6-13-8/h4-6,9,13H,7H2,1-3H3,(H,14,17)(H,15,16)
InChI Key:
ZKYMGOPRJXSNPY-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC(C(=O)O)Cc1[nH]ccc1
Properties
Complexity:
312  
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:
3  
Isotope Atom Count:
0
Molecular Weight:
254.286g/mol
Monoisotopic Mass:
254.127g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties