methyl 2-[2-(1-aminoethyl)-5-methoxyphenoxy]propanoate

C13H19NO4 — CID 82000173

IUPACmethyl 2-[2-(1-aminoethyl)-5-methoxyphenoxy]propanoate
SMILESCOC(=O)C(C)Oc1cc(OC)ccc1C(C)N
InChIInChI=1S/C13H19NO4/c1-8(14)11-6-5-10(16-3)7-12(11)18-9(2)13(15)17-4/h5-9H,14H2,1-4H3
InChIKeyWLNBFAKBSLISGI-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.66
Rot. Bonds5

About methyl 2-[2-(1-aminoethyl)-5-methoxyphenoxy]propanoate

methyl 2-[2-(1-aminoethyl)-5-methoxyphenoxy]propanoate (PubChem CID 82000173) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 2-[2-(1-aminoethyl)-5-methoxyphenoxy]propanoate.

Molecular Properties

Compound Namemethyl 2-[2-(1-aminoethyl)-5-methoxyphenoxy]propanoate
PubChem CID82000173
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Namemethyl 2-[2-(1-aminoethyl)-5-methoxyphenoxy]propanoate
SMILESCOC(=O)C(C)Oc1cc(OC)ccc1C(C)N
InChIInChI=1S/C13H19NO4/c1-8(14)11-6-5-10(16-3)7-12(11)18-9(2)13(15)17-4/h5-9H,14H2,1-4H3
InChIKeyWLNBFAKBSLISGI-UHFFFAOYSA-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-[2-(1-aminoethyl)-5-methoxyphenoxy]propanamide
CID 82000170
2-[2-(1-aminoethyl)-5-methoxyphenoxy]-N-(methylcarbamoyl)propanamide
CID 82000761
methyl 2-[2-[(1R)-1-aminoethyl]phenoxy]propanoate
CID 63367072
ethyl 2-[2-[(1R)-1-aminoethyl]-5-methoxyphenoxy]pentanoate
CID 83035515
2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]propanamide
CID 82001124
methyl 2-[4-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]propanoate
CID 63062325
methyl (2S)-2-(3,5-dimethoxyphenoxy)propanoate
CID 97170688
methyl 2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]propanoate
CID 63366880
2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]-N,N-dimethylpropanamide
CID 82001811
2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]-N-(methylcarbamoyl)propanamide
CID 82003429
2-[2-[(1S)-1-aminoethyl]-5-methoxyphenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 82000074
methyl 2-(6-methoxy-2-methylquinolin-4-yl)oxypropanoate
CID 53269444

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(1-aminoethyl)-5-methoxyphenoxy]propanoate?
The IUPAC name of methyl 2-[2-(1-aminoethyl)-5-methoxyphenoxy]propanoate (CID 82000173) is methyl 2-[2-(1-aminoethyl)-5-methoxyphenoxy]propanoate.
What is the SMILES notation for methyl 2-[2-(1-aminoethyl)-5-methoxyphenoxy]propanoate?
The canonical SMILES for methyl 2-[2-(1-aminoethyl)-5-methoxyphenoxy]propanoate is COC(=O)C(C)Oc1cc(OC)ccc1C(C)N.
What is the InChIKey of methyl 2-[2-(1-aminoethyl)-5-methoxyphenoxy]propanoate?
The InChIKey is WLNBFAKBSLISGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-8(14)11-6-5-10(16-3)7-12(11)18-9(2)13(15)17-4/h5-9H,14H2,1-4H3.
What are the key properties of methyl 2-[2-(1-aminoethyl)-5-methoxyphenoxy]propanoate?
methyl 2-[2-(1-aminoethyl)-5-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-[2-(1-aminoethyl)-5-methoxyphenoxy]propanoate is sourced from PubChem (CID 82000173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).