Text Search
Structure Search

2-[(tert-butoxycarbonyl)amino]but-3-enoic acid

2-[(tert-butoxycarbonyl)amino]but-3-enoic acid

CAS: 171077-04-6

Formula: C9H15NO4

SMILES: CC(C)(C)OC(=O)NC(C=C)C(O)=O

IUPAC: 2-{[(tert-butoxy)carbonyl]amino}but-3-enoic acid

InChI: InChI=1/C9H15NO4/c1-5-6(7(11)12)10-8(13)14-9(2,3)4/h5-6H,1H2,2-4H3,(H,10,13)(H,11,12)

Composition: C (53.72%), H (7.51%), N (6.96%), O (31.80%)

Molar Mass: 201.222

Atom Count: 29

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 201.100107967
Formal Charge 0
FSP3 0.56
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey BYHZVVBUNVWRGH-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.78
Topological Polar Surface Area 75.63
Polarizability 19.57
Ring Count 0
Rotatable Bond Count 5

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime CAS UnitPrice
98% <10 Days 171077-04-6 Quote Only
ChemBridge Corp.
Purity LeadTime CAS PacketSize UnitPrice
95% <4 Days 171077-04-6 $215.05-$379.50$215.05$379.50
Request Quote