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(2Z)-3-({2-[(tert-butoxycarbonyl)amino]ethyl}carbamoyl)prop-2-enoic acid

(2Z)-3-({2-[(tert-butoxycarbonyl)amino]ethyl}carbamoyl)prop-2-enoic acid

CAS: 215654-55-0

Formula: C11H18N2O5

SMILES: CC(C)(C)OC(=O)NCCNC(=O)C=C/C(O)=O

IUPAC: (2Z)-3-[(2-{[(tert-butoxy)carbonyl]amino}ethyl)carbamoyl]prop-2-enoic acid

InChI: InChI=1S/C11H18N2O5/c1-11(2,3)18-10(17)13-7-6-12-8(14)4-5-9(15)16/h4-5H,6-7H2,1-3H3,(H,12,14)(H,13,17)(H,15,16)/b5-4-

Composition: C (51.16%), H (7.03%), N (10.85%), O (30.97%)

Molar Mass: 258.274

Atom Count: 36

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 258.121571688
Formal Charge 0
FSP3 0.55
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey INGPNYUYNRFJBP-PLNGDYQASA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.15
Topological Polar Surface Area 104.73
Polarizability 24.52
Ring Count 0
Rotatable Bond Count 7

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Purity LeadTime CAS UnitPrice
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Purity LeadTime CAS PacketSize UnitPrice
95% 1 Day 215654-55-0 $81.65-$1,701.00$81.65$153.09$306.18$918.54$1,701.00
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