Text Search
Structure Search

3-{[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}propanoic acid

3-{[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}propanoic acid

CAS: 951400-49-0

Formula: C11H14N2O4

SMILES: OC(=O)CCNC1=C(N2CCCC2)C(=O)C1=O

IUPAC: 3-{[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}propanoic acid

InChI: InChI=1S/C11H14N2O4/c14-7(15)3-4-12-8-9(11(17)10(8)16)13-5-1-2-6-13/h12H,1-6H2,(H,14,15)

Composition: C (55.46%), H (5.92%), N (11.76%), O (26.86%)

Molar Mass: 238.243

Atom Count: 31

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 238.095356939
Formal Charge 0
FSP3 0.55
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey CTPJUJRJKUIXND-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.28
Topological Polar Surface Area 86.71
Polarizability 22.36
Ring Count 2
Rotatable Bond Count 5

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
MATRIX SCIENTIFIC
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 951400-49-0 $269.51$269.51
Request Quote