4-(pyrazin-2-ylformamido)butanoic acid

4-(pyrazin-2-ylformamido)butanoic acid

CAS: 209961-11-5

Formula: C9H11N3O3

SMILES: OC(=O)CCCNC(=O)C1=CN=CC=N1

IUPAC: 4-[(pyrazin-2-yl)formamido]butanoic acid

InChI: InChI=1S/C9H11N3O3/c13-8(14)2-1-3-12-9(15)7-6-10-4-5-11-7/h4-6H,1-3H2,(H,12,15)(H,13,14)

Composition: C (51.67%), H (5.30%), N (20.09%), O (22.94%)

Molar Mass: 209.205

Atom Count: 26

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	209.080041226
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	JMTGXCCHKKUBKF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.89
Topological Polar Surface Area	92.18
Polarizability	19.38
Ring Count	1
Rotatable Bond Count	5

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