methyl 2-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]acetate

C18H21NO4 — CID 95558883

IUPACmethyl 2-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]acetate
SMILESCOC(=O)CN1CCO[C@@H](c2ccc3cc(OC)ccc3c2)C1
InChIInChI=1S/C18H21NO4/c1-21-16-6-5-13-9-15(4-3-14(13)10-16)17-11-19(7-8-23-17)12-18(20)22-2/h3-6,9-10,17H,7-8,11-12H2,1-2H3/t17-/m1/s1
InChIKeyOMYCLROQDLTMMI-QGZVFWFLSA-N
MW315.37 g/mol
LogP2.39
Rot. Bonds4

About methyl 2-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]acetate

methyl 2-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]acetate (PubChem CID 95558883) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is methyl 2-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]acetate
PubChem CID95558883
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Namemethyl 2-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]acetate
SMILESCOC(=O)CN1CCO[C@@H](c2ccc3cc(OC)ccc3c2)C1
InChIInChI=1S/C18H21NO4/c1-21-16-6-5-13-9-15(4-3-14(13)10-16)17-11-19(7-8-23-17)12-18(20)22-2/h3-6,9-10,17H,7-8,11-12H2,1-2H3/t17-/m1/s1
InChIKeyOMYCLROQDLTMMI-QGZVFWFLSA-N
XLogP2.39
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]pentanoate
CID 56871644
methyl 2-[[(2S)-2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]amino]acetate
CID 95551662
5-[[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 95562733
1-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]butane-1,2-dione
CID 95562775
1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]butane-1,2-dione
CID 95562776
methyl N-[2-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-2-oxoethyl]carbamate
CID 95463844
1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-2-piperazin-1-ylethanone;hydrochloride
CID 154892435
methyl 2-[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]acetate
CID 71981585
1-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 95556663
1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 95556664
3-amino-1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]propan-1-one;hydrochloride
CID 154892310
1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-4-methylpentane-1,2-dione
CID 95545475

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]acetate?
The IUPAC name of methyl 2-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]acetate (CID 95558883) is methyl 2-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]acetate.
What is the SMILES notation for methyl 2-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]acetate?
The canonical SMILES for methyl 2-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]acetate is COC(=O)CN1CCO[C@@H](c2ccc3cc(OC)ccc3c2)C1.
What is the InChIKey of methyl 2-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]acetate?
The InChIKey is OMYCLROQDLTMMI-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21NO4/c1-21-16-6-5-13-9-15(4-3-14(13)10-16)17-11-19(7-8-23-17)12-18(20)22-2/h3-6,9-10,17H,7-8,11-12H2,1-2H3/t17-/m1/s1.
What are the key properties of methyl 2-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]acetate?
methyl 2-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]acetate has a molecular weight of 315.37 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]acetate is sourced from PubChem (CID 95558883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).