methyl 2-(2-methoxyphenyl)-2-(oxolan-2-ylmethylamino)propanoate

C16H23NO4 — CID 60994624

IUPACmethyl 2-(2-methoxyphenyl)-2-(oxolan-2-ylmethylamino)propanoate
SMILESCOC(=O)C(C)(NCC1CCCO1)c1ccccc1OC
InChIInChI=1S/C16H23NO4/c1-16(15(18)20-3,17-11-12-7-6-10-21-12)13-8-4-5-9-14(13)19-2/h4-5,8-9,12,17H,6-7,10-11H2,1-3H3
InChIKeyGBFNJKMUBTXMAT-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.85
Rot. Bonds6

About methyl 2-(2-methoxyphenyl)-2-(oxolan-2-ylmethylamino)propanoate

methyl 2-(2-methoxyphenyl)-2-(oxolan-2-ylmethylamino)propanoate (PubChem CID 60994624) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is methyl 2-(2-methoxyphenyl)-2-(oxolan-2-ylmethylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-methoxyphenyl)-2-(oxolan-2-ylmethylamino)propanoate
PubChem CID60994624
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Namemethyl 2-(2-methoxyphenyl)-2-(oxolan-2-ylmethylamino)propanoate
SMILESCOC(=O)C(C)(NCC1CCCO1)c1ccccc1OC
InChIInChI=1S/C16H23NO4/c1-16(15(18)20-3,17-11-12-7-6-10-21-12)13-8-4-5-9-14(13)19-2/h4-5,8-9,12,17H,6-7,10-11H2,1-3H3
InChIKeyGBFNJKMUBTXMAT-UHFFFAOYSA-N
XLogP1.85
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(2-chlorophenyl)-2-(oxolan-2-ylmethylamino)propanoate
CID 60993340
ethyl 2-(2-bromophenyl)-2-(oxolan-2-ylmethylamino)propanoate
CID 60993773
methyl 2-(3-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)propanoate
CID 60993337
methyl 2-methyl-2-[[(2S)-oxolan-2-yl]methylamino]propanoate
CID 30030904
methyl 2-(cyclohexylamino)-2-(2-methoxyphenyl)propanoate
CID 60997593
methyl 2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)butanoate
CID 60993623
N'-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide
CID 108943622
4-methoxy-3-(oxolan-2-ylmethylamino)benzoic acid
CID 82836476
(E)-3-(2-methoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
CID 895784
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 964934
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,6-dimethoxybenzoate
CID 23910544
2,3-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 4781408

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methoxyphenyl)-2-(oxolan-2-ylmethylamino)propanoate?
The IUPAC name of methyl 2-(2-methoxyphenyl)-2-(oxolan-2-ylmethylamino)propanoate (CID 60994624) is methyl 2-(2-methoxyphenyl)-2-(oxolan-2-ylmethylamino)propanoate.
What is the SMILES notation for methyl 2-(2-methoxyphenyl)-2-(oxolan-2-ylmethylamino)propanoate?
The canonical SMILES for methyl 2-(2-methoxyphenyl)-2-(oxolan-2-ylmethylamino)propanoate is COC(=O)C(C)(NCC1CCCO1)c1ccccc1OC.
What is the InChIKey of methyl 2-(2-methoxyphenyl)-2-(oxolan-2-ylmethylamino)propanoate?
The InChIKey is GBFNJKMUBTXMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-16(15(18)20-3,17-11-12-7-6-10-21-12)13-8-4-5-9-14(13)19-2/h4-5,8-9,12,17H,6-7,10-11H2,1-3H3.
What are the key properties of methyl 2-(2-methoxyphenyl)-2-(oxolan-2-ylmethylamino)propanoate?
methyl 2-(2-methoxyphenyl)-2-(oxolan-2-ylmethylamino)propanoate has a molecular weight of 293.36 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methoxyphenyl)-2-(oxolan-2-ylmethylamino)propanoate is sourced from PubChem (CID 60994624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).