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90120-78-8 | Pyrrolo[3,4-d]imidazole-5(1H)-pentanoic acid, hexahydro-2-oxo-
CAS No: 90120-78-8 Catalog No: AG006J4Y MDL No:
Product Description
Catalog Number:
AG006J4Y
Chemical Name:
Pyrrolo[3,4-d]imidazole-5(1H)-pentanoic acid, hexahydro-2-oxo-
CAS Number:
90120-78-8
Molecular Formula:
C10H17N3O3
Molecular Weight:
227.2603
IUPAC Name:
5-(2-oxo-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-d]imidazol-5-yl)pentanoic acid
InChI:
InChI=1S/C10H17N3O3/c14-9(15)3-1-2-4-13-5-7-8(6-13)12-10(16)11-7/h7-8H,1-6H2,(H,14,15)(H2,11,12,16)
InChI Key:
ZHSRHSHCFXXFCM-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCN1CC2C(C1)NC(=O)N2
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.127g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
227.264g/mol
Monoisotopic Mass:
227.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-3
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