methyl 3-[(3-methoxyoxolan-3-yl)methylamino]-2-phenylpropanoate

C16H23NO4 — CID 104761009

IUPACmethyl 3-[(3-methoxyoxolan-3-yl)methylamino]-2-phenylpropanoate
SMILESCOC(=O)C(CNCC1(OC)CCOC1)c1ccccc1
InChIInChI=1S/C16H23NO4/c1-19-15(18)14(13-6-4-3-5-7-13)10-17-11-16(20-2)8-9-21-12-16/h3-7,14,17H,8-12H2,1-2H3
InChIKeyJBPJNUGOJCJZLJ-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.34
Rot. Bonds7

About methyl 3-[(3-methoxyoxolan-3-yl)methylamino]-2-phenylpropanoate

methyl 3-[(3-methoxyoxolan-3-yl)methylamino]-2-phenylpropanoate (PubChem CID 104761009) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is methyl 3-[(3-methoxyoxolan-3-yl)methylamino]-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(3-methoxyoxolan-3-yl)methylamino]-2-phenylpropanoate
PubChem CID104761009
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Namemethyl 3-[(3-methoxyoxolan-3-yl)methylamino]-2-phenylpropanoate
SMILESCOC(=O)C(CNCC1(OC)CCOC1)c1ccccc1
InChIInChI=1S/C16H23NO4/c1-19-15(18)14(13-6-4-3-5-7-13)10-17-11-16(20-2)8-9-21-12-16/h3-7,14,17H,8-12H2,1-2H3
InChIKeyJBPJNUGOJCJZLJ-UHFFFAOYSA-N
XLogP1.34
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-methoxyoxolan-3-yl)methylamino]-1-(3-methoxyphenyl)ethanol
CID 104760779
ethyl 3-[(3-methoxyoxolan-3-yl)methylamino]-2-methylpropanoate
CID 104760859
2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]phenol
CID 113443332
methyl 2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]benzoate
CID 104721656
2-[(3-methoxyoxolan-3-yl)methylamino]-N-(2-methylphenyl)acetamide
CID 104760816
N-(2-bromophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]acetamide
CID 104760787
1-(3,4-difluorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]ethanol
CID 104760733
methyl 3-[2-(dimethylamino)ethylamino]-2-phenylpropanoate
CID 64565637
2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]furan-3-carboxylic acid
CID 103266355
(3-methoxyoxolan-3-yl)methylurea
CID 104704481
1-[(3-methoxyoxolan-3-yl)methyl]-3-phenylthiourea
CID 104704463
N-(2,6-dichlorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]acetamide
CID 104760842

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-methoxyoxolan-3-yl)methylamino]-2-phenylpropanoate?
The IUPAC name of methyl 3-[(3-methoxyoxolan-3-yl)methylamino]-2-phenylpropanoate (CID 104761009) is methyl 3-[(3-methoxyoxolan-3-yl)methylamino]-2-phenylpropanoate.
What is the SMILES notation for methyl 3-[(3-methoxyoxolan-3-yl)methylamino]-2-phenylpropanoate?
The canonical SMILES for methyl 3-[(3-methoxyoxolan-3-yl)methylamino]-2-phenylpropanoate is COC(=O)C(CNCC1(OC)CCOC1)c1ccccc1.
What is the InChIKey of methyl 3-[(3-methoxyoxolan-3-yl)methylamino]-2-phenylpropanoate?
The InChIKey is JBPJNUGOJCJZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-19-15(18)14(13-6-4-3-5-7-13)10-17-11-16(20-2)8-9-21-12-16/h3-7,14,17H,8-12H2,1-2H3.
What are the key properties of methyl 3-[(3-methoxyoxolan-3-yl)methylamino]-2-phenylpropanoate?
methyl 3-[(3-methoxyoxolan-3-yl)methylamino]-2-phenylpropanoate has a molecular weight of 293.36 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-methoxyoxolan-3-yl)methylamino]-2-phenylpropanoate is sourced from PubChem (CID 104761009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).