Oksaceprol

Oksaceprol
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	33996-33-7^Y
ATC kod	D11AX09 (WHO) M01AX24
PubChem	CID 65784
UNII	Q0XV76B96L^Y
KEGG	D07215^Y
Sinonimi	(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carboxylic acid
Hemijski podaci
Formula	C₇H₁₁NO₄
Molarna masa	173,167
SMILES CC(=O)N1C[C@H](O)C[C@H]1C(=O)O
InChI InChI=1S/C7H11NO4/c1-4(9)8-3-5(10)2-6(8)7(11)12/h5-6,10H,2-3H2,1H3,(H,11,12)/t5-,6+/m1/s1^Y Key:BAPRUDZDYCKSOQ-RITPCOANSA-N^Y

Oksaceprol je organsko jedinjenje, koje sadrži 7 atoma ugljenika i ima molekulsku masu od 173,167 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	4
Broj donora vodonika	2
Broj rotacionih veza	1
Particioni koeficijent^[1] (ALogP)	-1,4
Rastvorljivost^[2] (logS, log(mol/L))	-0,1
Polarna površina^[3] (PSA, Å²)	77,8

^ Ghose, A.K.; Viswanadhan V.N. & Wendoloski, J.J. (1998). „Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragment Methods: An Analysis of AlogP and CLogP Methods”. J. Phys. Chem. A. 102: 3762—3772. doi:10.1021/jp980230o.
^ Tetko IV, Tanchuk VY, Kasheva TN, Villa AE (2001). „Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices”. Chem Inf. Comput. Sci. 41: 1488—1493. PMID 11749573. doi:10.1021/ci000392t.
^ Ertl P.; Rohde B.; Selzer P. (2000). „Fast calculation of molecular polar surface area as a sum of fragment based contributions and its application to the prediction of drug transport properties”. J. Med. Chem. 43: 3714—3717. PMID 11020286. doi:10.1021/jm000942e.

Hardman JG, Limbird LE, Gilman AG (2001). Goodman & Gilman's The Pharmacological Basis of Therapeutics (10. изд.). New York: McGraw-Hill. ISBN 0071354697. doi:10.1036/0071422803.
Thomas L. Lemke; David A. Williams, ур. (2007). Foye's Principles of Medicinal Chemistry (6. изд.). Baltimore: Lippincott Willams & Wilkins. ISBN 0781768799.