methyl 3-(3-methylphenyl)-2-morpholin-4-ylpropanoate

C15H21NO3 — CID 25233392

IUPACmethyl 3-(3-methylphenyl)-2-morpholin-4-ylpropanoate
SMILESCOC(=O)C(Cc1cccc(C)c1)N1CCOCC1
InChIInChI=1S/C15H21NO3/c1-12-4-3-5-13(10-12)11-14(15(17)18-2)16-6-8-19-9-7-16/h3-5,10,14H,6-9,11H2,1-2H3
InChIKeyKMPOINFAEPZEIJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.41
Rot. Bonds4

About methyl 3-(3-methylphenyl)-2-morpholin-4-ylpropanoate

methyl 3-(3-methylphenyl)-2-morpholin-4-ylpropanoate (PubChem CID 25233392) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 3-(3-methylphenyl)-2-morpholin-4-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-(3-methylphenyl)-2-morpholin-4-ylpropanoate
PubChem CID25233392
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 3-(3-methylphenyl)-2-morpholin-4-ylpropanoate
SMILESCOC(=O)C(Cc1cccc(C)c1)N1CCOCC1
InChIInChI=1S/C15H21NO3/c1-12-4-3-5-13(10-12)11-14(15(17)18-2)16-6-8-19-9-7-16/h3-5,10,14H,6-9,11H2,1-2H3
InChIKeyKMPOINFAEPZEIJ-UHFFFAOYSA-N
XLogP1.41
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-morpholin-4-yl-3-phenylmethoxypropanoate
CID 140841569
methyl (2R)-2-(2,5-dihydropyrrol-1-yl)-3-phenylpropanoate
CID 135574815
methyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-phenylpropanoate
CID 3288684
methyl 2-(aminomethyl)-3-(3-methylphenyl)propanoate;hydrochloride
CID 50988546
(2R)-3-(2,6-dimethylphenyl)-2-morpholin-4-ylpropanoic acid
CID 100552037
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 110398802
(2S)-3-(2-methoxy-5-methylphenyl)-2-morpholin-4-ylpropanoic acid
CID 100553628
1-[1-(3-methoxyphenyl)propan-2-yl]-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea
CID 86943137
ethyl (2R)-2-morpholin-4-yl-4-phenylbutanoate
CID 97356994
2-[(3-methylphenyl)methoxy]-1-morpholin-4-ylethanone
CID 173269942
(2R)-2-morpholin-4-yl-1,3-diphenylpropan-1-one
CID 7000195
(2S)-3-(2,5-dimethylphenyl)-2-morpholin-4-ylpropanoic acid
CID 94693944

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-methylphenyl)-2-morpholin-4-ylpropanoate?
The IUPAC name of methyl 3-(3-methylphenyl)-2-morpholin-4-ylpropanoate (CID 25233392) is methyl 3-(3-methylphenyl)-2-morpholin-4-ylpropanoate.
What is the SMILES notation for methyl 3-(3-methylphenyl)-2-morpholin-4-ylpropanoate?
The canonical SMILES for methyl 3-(3-methylphenyl)-2-morpholin-4-ylpropanoate is COC(=O)C(Cc1cccc(C)c1)N1CCOCC1.
What is the InChIKey of methyl 3-(3-methylphenyl)-2-morpholin-4-ylpropanoate?
The InChIKey is KMPOINFAEPZEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-12-4-3-5-13(10-12)11-14(15(17)18-2)16-6-8-19-9-7-16/h3-5,10,14H,6-9,11H2,1-2H3.
What are the key properties of methyl 3-(3-methylphenyl)-2-morpholin-4-ylpropanoate?
methyl 3-(3-methylphenyl)-2-morpholin-4-ylpropanoate has a molecular weight of 263.34 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-methylphenyl)-2-morpholin-4-ylpropanoate is sourced from PubChem (CID 25233392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).