methyl 2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]propanoate

C13H19NO4 — CID 63366880

IUPACmethyl 2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]propanoate
SMILESCOC(=O)C(C)Oc1ccc([C@@H](C)N)cc1OC
InChIInChI=1S/C13H19NO4/c1-8(14)10-5-6-11(12(7-10)16-3)18-9(2)13(15)17-4/h5-9H,14H2,1-4H3/t8-,9?/m1/s1
InChIKeyLMFGPIZFMFFUJB-VEDVMXKPSA-N
MW253.30 g/mol
LogP1.66
Rot. Bonds5

About methyl 2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]propanoate

methyl 2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]propanoate (PubChem CID 63366880) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]propanoate.

Molecular Properties

Compound Namemethyl 2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]propanoate
PubChem CID63366880
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Namemethyl 2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]propanoate
SMILESCOC(=O)C(C)Oc1ccc([C@@H](C)N)cc1OC
InChIInChI=1S/C13H19NO4/c1-8(14)10-5-6-11(12(7-10)16-3)18-9(2)13(15)17-4/h5-9H,14H2,1-4H3/t8-,9?/m1/s1
InChIKeyLMFGPIZFMFFUJB-VEDVMXKPSA-N
XLogP1.66
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]propanoic acid
CID 55189911
methyl 2-[4-(1-aminoethyl)-2-fluorophenoxy]propanoate
CID 113389444
(1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethanamine
CID 30078360
3-methoxy-4-(1-methoxy-1-oxopropan-2-yl)oxybenzoic acid
CID 2981353
3-methoxy-4-[(2R)-1-methoxy-1-oxopropan-2-yl]oxybenzoate
CID 2237504
1-[4-(difluoromethoxy)-3-methoxyphenyl]ethanamine
CID 16790112
methyl (2R)-2-(2-methoxy-4-nitrophenoxy)propanoate
CID 103337970
2-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]pentanoic acid
CID 83037676
(2R)-2-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
CID 119288204
(1S)-1-[3-methoxy-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine
CID 78960200
2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-N-methylpropanamide
CID 78931098
5-(1-aminoethyl)-2-methoxybenzoic acid
CID 105448790

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]propanoate?
The IUPAC name of methyl 2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]propanoate (CID 63366880) is methyl 2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]propanoate.
What is the SMILES notation for methyl 2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]propanoate?
The canonical SMILES for methyl 2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]propanoate is COC(=O)C(C)Oc1ccc([C@@H](C)N)cc1OC.
What is the InChIKey of methyl 2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]propanoate?
The InChIKey is LMFGPIZFMFFUJB-VEDVMXKPSA-N. The full InChI is InChI=1S/C13H19NO4/c1-8(14)10-5-6-11(12(7-10)16-3)18-9(2)13(15)17-4/h5-9H,14H2,1-4H3/t8-,9?/m1/s1.
What are the key properties of methyl 2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]propanoate?
methyl 2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]propanoate has a molecular weight of 253.30 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]propanoate is sourced from PubChem (CID 63366880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).