benzyl 2-[(2S)-2,6-dimethylmorpholin-4-yl]-2-methylpropanoate

C17H25NO3 — CID 134421625

IUPACbenzyl 2-[(2S)-2,6-dimethylmorpholin-4-yl]-2-methylpropanoate
SMILESCC1CN(C(C)(C)C(=O)OCc2ccccc2)C[C@H](C)O1
InChIInChI=1S/C17H25NO3/c1-13-10-18(11-14(2)21-13)17(3,4)16(19)20-12-15-8-6-5-7-9-15/h5-9,13-14H,10-12H2,1-4H3/t13-,14?/m0/s1
InChIKeyLOSQYLZKFKKVJL-LSLKUGRBSA-N
MW291.39 g/mol
LogP2.62
Rot. Bonds4

About benzyl 2-[(2S)-2,6-dimethylmorpholin-4-yl]-2-methylpropanoate

benzyl 2-[(2S)-2,6-dimethylmorpholin-4-yl]-2-methylpropanoate (PubChem CID 134421625) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is benzyl 2-[(2S)-2,6-dimethylmorpholin-4-yl]-2-methylpropanoate.

Molecular Properties

Compound Namebenzyl 2-[(2S)-2,6-dimethylmorpholin-4-yl]-2-methylpropanoate
PubChem CID134421625
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Namebenzyl 2-[(2S)-2,6-dimethylmorpholin-4-yl]-2-methylpropanoate
SMILESCC1CN(C(C)(C)C(=O)OCc2ccccc2)C[C@H](C)O1
InChIInChI=1S/C17H25NO3/c1-13-10-18(11-14(2)21-13)17(3,4)16(19)20-12-15-8-6-5-7-9-15/h5-9,13-14H,10-12H2,1-4H3/t13-,14?/m0/s1
InChIKeyLOSQYLZKFKKVJL-LSLKUGRBSA-N
XLogP2.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-benzyl-6-methylmorpholine-4-carboxylate
CID 110644179
benzyl 2-amino-2-hydroxypropanoate
CID 67630480
benzyl 3-hydroxy-2,3-dimethyl-2-silylbutanoate
CID 174747331
benzyl N-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethylamino]-2-oxoethyl]carbamate
CID 94821785
benzyl (2S)-2-amino-2-methylbutanoate
CID 15660566
benzyl 2-amino-2-phenylpropanoate
CID 54322564
benzyl 1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperidine-2-carboxylate
CID 70127873
2-amino-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-phenylpropanamide
CID 120595010
benzyl 2,6-dimethyl-1,3-oxazinane-3-carboxylate
CID 156517654
benzyl (3R,4R)-3-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-1-carboxylate
CID 164791293
benzyl 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 6975629
benzyl 4-amino-2,2-dimethyl-4-oxobutanoate
CID 66875161

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(2S)-2,6-dimethylmorpholin-4-yl]-2-methylpropanoate?
The IUPAC name of benzyl 2-[(2S)-2,6-dimethylmorpholin-4-yl]-2-methylpropanoate (CID 134421625) is benzyl 2-[(2S)-2,6-dimethylmorpholin-4-yl]-2-methylpropanoate.
What is the SMILES notation for benzyl 2-[(2S)-2,6-dimethylmorpholin-4-yl]-2-methylpropanoate?
The canonical SMILES for benzyl 2-[(2S)-2,6-dimethylmorpholin-4-yl]-2-methylpropanoate is CC1CN(C(C)(C)C(=O)OCc2ccccc2)C[C@H](C)O1.
What is the InChIKey of benzyl 2-[(2S)-2,6-dimethylmorpholin-4-yl]-2-methylpropanoate?
The InChIKey is LOSQYLZKFKKVJL-LSLKUGRBSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13-10-18(11-14(2)21-13)17(3,4)16(19)20-12-15-8-6-5-7-9-15/h5-9,13-14H,10-12H2,1-4H3/t13-,14?/m0/s1.
What are the key properties of benzyl 2-[(2S)-2,6-dimethylmorpholin-4-yl]-2-methylpropanoate?
benzyl 2-[(2S)-2,6-dimethylmorpholin-4-yl]-2-methylpropanoate has a molecular weight of 291.39 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(2S)-2,6-dimethylmorpholin-4-yl]-2-methylpropanoate is sourced from PubChem (CID 134421625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).