2,5-dioxopyrrolidin-1-yl 3-[({3-[(2,5-dioxopyrrolidin-1-yl)oxy]-3-oxopropyl}carbamoyl)amino]propanoate

2,5-dioxopyrrolidin-1-yl 3-[({3-[(2,5-dioxopyrrolidin-1-yl)oxy]-3-oxopropyl}carbamoyl)amino]propanoate

CAS: 2185840-20-2

Formula: C15H18N4O9

SMILES: O=C(CCNC(=O)NCCC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O

IUPAC: 2,5-dioxopyrrolidin-1-yl 3-[({3-[(2,5-dioxopyrrolidin-1-yl)oxy]-3-oxopropyl}carbamoyl)amino]propanoate

InChI: InChI=1S/C15H18N4O9/c20-9-1-2-10(21)18(9)27-13(24)5-7-16-15(26)17-8-6-14(25)28-19-11(22)3-4-12(19)23/h1-8H2,(H2,16,17,26)

Composition: C (45.23%), H (4.56%), N (14.07%), O (36.15%)

Molar Mass: 398.328

Atom Count: 46

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	398.107378176
Formal Charge	0
FSP3	0.53
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
InChIKey	JMEPPJWZENCLMQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	85.61
Topological Polar Surface Area	168.49
Polarizability	33.88
Ring Count	2
Rotatable Bond Count	10

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