benzyl (3R)-3-hydroxy-3-(6-morpholin-4-yl-3-pyridinyl)propanoate

C19H22N2O4 — CID 130196328

IUPACbenzyl (3R)-3-hydroxy-3-(6-morpholin-4-yl-3-pyridinyl)propanoate
SMILESO=C(C[C@@H](O)c1ccc(N2CCOCC2)nc1)OCc1ccccc1
InChIInChI=1S/C19H22N2O4/c22-17(12-19(23)25-14-15-4-2-1-3-5-15)16-6-7-18(20-13-16)21-8-10-24-11-9-21/h1-7,13,17,22H,8-12,14H2/t17-/m1/s1
InChIKeyLOQILJLKPIUICE-QGZVFWFLSA-N
MW342.40 g/mol
LogP2.09
Rot. Bonds6

About benzyl (3R)-3-hydroxy-3-(6-morpholin-4-yl-3-pyridinyl)propanoate

benzyl (3R)-3-hydroxy-3-(6-morpholin-4-yl-3-pyridinyl)propanoate (PubChem CID 130196328) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is benzyl (3R)-3-hydroxy-3-(6-morpholin-4-yl-3-pyridinyl)propanoate.

Molecular Properties

Compound Namebenzyl (3R)-3-hydroxy-3-(6-morpholin-4-yl-3-pyridinyl)propanoate
PubChem CID130196328
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Namebenzyl (3R)-3-hydroxy-3-(6-morpholin-4-yl-3-pyridinyl)propanoate
SMILESO=C(C[C@@H](O)c1ccc(N2CCOCC2)nc1)OCc1ccccc1
InChIInChI=1S/C19H22N2O4/c22-17(12-19(23)25-14-15-4-2-1-3-5-15)16-6-7-18(20-13-16)21-8-10-24-11-9-21/h1-7,13,17,22H,8-12,14H2/t17-/m1/s1
InChIKeyLOQILJLKPIUICE-QGZVFWFLSA-N
XLogP2.09
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,2-bis(6-morpholin-4-yl-3-pyridinyl)ethane-1,2-diol
CID 118482519
benzyl 3-hydroxy-3-phenylpropanoate
CID 15466820
1-(6-morpholin-4-yl-3-pyridinyl)ethanol
CID 79886021
benzyl (2S)-1-[[(6-morpholin-4-yl-3-pyridinyl)amino]methyl]piperidine-2-carboxylate
CID 59893765
methyl 2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-phenylpropanoate
CID 67384624
dibenzyl 3-hydroxypentanedioate
CID 23067924
benzyl 1-[(6-morpholin-4-yl-3-pyridinyl)sulfamoyl]piperidine-2-carboxylate
CID 70024698
[(1S)-2-methyl-1-(6-morpholin-4-yl-3-pyridinyl)propyl]carbamic acid
CID 138676035
3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-phenylpentanamide
CID 17489984
(2S)-2-amino-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119839457
4-(5-propan-2-yl-2-pyridinyl)morpholine
CID 20750181
benzyl N-[(1S)-2-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-oxo-1-spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-ylethyl]carbamate
CID 168852131

Frequently Asked Questions

What is the IUPAC name of benzyl (3R)-3-hydroxy-3-(6-morpholin-4-yl-3-pyridinyl)propanoate?
The IUPAC name of benzyl (3R)-3-hydroxy-3-(6-morpholin-4-yl-3-pyridinyl)propanoate (CID 130196328) is benzyl (3R)-3-hydroxy-3-(6-morpholin-4-yl-3-pyridinyl)propanoate.
What is the SMILES notation for benzyl (3R)-3-hydroxy-3-(6-morpholin-4-yl-3-pyridinyl)propanoate?
The canonical SMILES for benzyl (3R)-3-hydroxy-3-(6-morpholin-4-yl-3-pyridinyl)propanoate is O=C(C[C@@H](O)c1ccc(N2CCOCC2)nc1)OCc1ccccc1.
What is the InChIKey of benzyl (3R)-3-hydroxy-3-(6-morpholin-4-yl-3-pyridinyl)propanoate?
The InChIKey is LOQILJLKPIUICE-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22N2O4/c22-17(12-19(23)25-14-15-4-2-1-3-5-15)16-6-7-18(20-13-16)21-8-10-24-11-9-21/h1-7,13,17,22H,8-12,14H2/t17-/m1/s1.
What are the key properties of benzyl (3R)-3-hydroxy-3-(6-morpholin-4-yl-3-pyridinyl)propanoate?
benzyl (3R)-3-hydroxy-3-(6-morpholin-4-yl-3-pyridinyl)propanoate has a molecular weight of 342.40 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3R)-3-hydroxy-3-(6-morpholin-4-yl-3-pyridinyl)propanoate is sourced from PubChem (CID 130196328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).