Text Search
Structure Search

3-(2-ethylbutanamido)-2-methylbenzoic acid

3-(2-ethylbutanamido)-2-methylbenzoic acid

CAS: 890993-40-5

Formula: C14H19NO3

SMILES: CCC(CC)C(=O)NC1=C(C)C(=CC=C1)C(O)=O

IUPAC: 3-(2-ethylbutanamido)-2-methylbenzoic acid

InChI: InChI=1S/C14H19NO3/c1-4-10(5-2)13(16)15-12-8-6-7-11(9(12)3)14(17)18/h6-8,10H,4-5H2,1-3H3,(H,15,16)(H,17,18)

Composition: C (67.45%), H (7.68%), N (5.62%), O (19.25%)

Molar Mass: 249.31

Atom Count: 37

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 249.136493476
Formal Charge 0
FSP3 0.43
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey WALFTDUXXOUBEU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.62
Topological Polar Surface Area 66.4
Polarizability 26.67
Ring Count 1
Rotatable Bond Count 5

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
AA BLOCKS INC
Supplier Profile
Purity LeadTime CAS PacketSize UnitPrice
95% <6 Days 890993-40-5 $65.55-$258.75$65.55$258.75
Request Quote
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
95% <7 Days 890993-40-5 $78.66-$303.26$78.66$303.26
Request Quote
ChemBridge Corp.
Supplier Profile
Purity LeadTime CAS PacketSize UnitPrice
95% <4 Days 890993-40-5 $58.65-$232.30$58.65$232.30
Request Quote