4-[(2,5-dimethylfuran-3-yl)formamido]butanoic acid

4-[(2,5-dimethylfuran-3-yl)formamido]butanoic acid

CAS: 335393-89-0

Formula: C11H15NO4

SMILES: CC1=CC(C(=O)NCCCC(O)=O)=C(C)O1

IUPAC: 4-[(2,5-dimethylfuran-3-yl)formamido]butanoic acid

InChI: InChI=1S/C11H15NO4/c1-7-6-9(8(2)16-7)11(15)12-5-3-4-10(13)14/h6H,3-5H2,1-2H3,(H,12,15)(H,13,14)

Composition: C (58.66%), H (6.71%), N (6.22%), O (28.41%)

Molar Mass: 225.244

Atom Count: 31

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	225.100107967
Formal Charge	0
FSP3	0.45
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	KRTLPGFYQHBOMC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.38
Topological Polar Surface Area	79.54
Polarizability	21.55
Ring Count	1
Rotatable Bond Count	5

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