ethyl 2-[2-[(1R)-1-aminoethyl]-5-methoxyphenoxy]pentanoate

C16H25NO4 — CID 83035515

IUPACethyl 2-[2-[(1R)-1-aminoethyl]-5-methoxyphenoxy]pentanoate
SMILESCCCC(Oc1cc(OC)ccc1[C@@H](C)N)C(=O)OCC
InChIInChI=1S/C16H25NO4/c1-5-7-14(16(18)20-6-2)21-15-10-12(19-4)8-9-13(15)11(3)17/h8-11,14H,5-7,17H2,1-4H3/t11-,14?/m1/s1
InChIKeyNXMBNRYDRJSXOC-YNODCEANSA-N
MW295.38 g/mol
LogP2.83
Rot. Bonds8

About ethyl 2-[2-[(1R)-1-aminoethyl]-5-methoxyphenoxy]pentanoate

ethyl 2-[2-[(1R)-1-aminoethyl]-5-methoxyphenoxy]pentanoate (PubChem CID 83035515) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is ethyl 2-[2-[(1R)-1-aminoethyl]-5-methoxyphenoxy]pentanoate.

Molecular Properties

Compound Nameethyl 2-[2-[(1R)-1-aminoethyl]-5-methoxyphenoxy]pentanoate
PubChem CID83035515
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Nameethyl 2-[2-[(1R)-1-aminoethyl]-5-methoxyphenoxy]pentanoate
SMILESCCCC(Oc1cc(OC)ccc1[C@@H](C)N)C(=O)OCC
InChIInChI=1S/C16H25NO4/c1-5-7-14(16(18)20-6-2)21-15-10-12(19-4)8-9-13(15)11(3)17/h8-11,14H,5-7,17H2,1-4H3/t11-,14?/m1/s1
InChIKeyNXMBNRYDRJSXOC-YNODCEANSA-N
XLogP2.83
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[2-[(1R)-1-aminoethyl]-5-methoxyphenoxy]pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(1-aminoethyl)-5-methoxyphenoxy]propanamide
CID 82000170
2-(1-ethoxy-1-oxopentan-2-yl)oxy-5-methoxybenzoic acid
CID 83040391
methyl 2-[2-(1-aminoethyl)-5-methoxyphenoxy]propanoate
CID 82000173
ethyl 2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]pentanoate
CID 83042105
2-[2-[(1S)-1-aminoethyl]-5-bromophenoxy]pentanoic acid
CID 102947307
diethyl 2-(2,4-dimethoxyphenyl)propanedioate
CID 13193850
1-[2-(ethoxymethoxy)-4-methoxyphenyl]ethanamine
CID 82000622
2-(2-amino-4-methoxyphenoxy)pentanoic acid
CID 83037048
diethyl 2-methylpropanedioate;1,4-dimethoxybenzene
CID 174542706
ethyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride
CID 171201109
4-[2-(1-aminoethyl)-5-methoxyphenoxy]butan-2-ol
CID 113398869
1-(2-heptoxy-4-methoxyphenyl)ethanamine
CID 82000462

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(1R)-1-aminoethyl]-5-methoxyphenoxy]pentanoate?
The IUPAC name of ethyl 2-[2-[(1R)-1-aminoethyl]-5-methoxyphenoxy]pentanoate (CID 83035515) is ethyl 2-[2-[(1R)-1-aminoethyl]-5-methoxyphenoxy]pentanoate.
What is the SMILES notation for ethyl 2-[2-[(1R)-1-aminoethyl]-5-methoxyphenoxy]pentanoate?
The canonical SMILES for ethyl 2-[2-[(1R)-1-aminoethyl]-5-methoxyphenoxy]pentanoate is CCCC(Oc1cc(OC)ccc1[C@@H](C)N)C(=O)OCC.
What is the InChIKey of ethyl 2-[2-[(1R)-1-aminoethyl]-5-methoxyphenoxy]pentanoate?
The InChIKey is NXMBNRYDRJSXOC-YNODCEANSA-N. The full InChI is InChI=1S/C16H25NO4/c1-5-7-14(16(18)20-6-2)21-15-10-12(19-4)8-9-13(15)11(3)17/h8-11,14H,5-7,17H2,1-4H3/t11-,14?/m1/s1.
What are the key properties of ethyl 2-[2-[(1R)-1-aminoethyl]-5-methoxyphenoxy]pentanoate?
ethyl 2-[2-[(1R)-1-aminoethyl]-5-methoxyphenoxy]pentanoate has a molecular weight of 295.38 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(1R)-1-aminoethyl]-5-methoxyphenoxy]pentanoate is sourced from PubChem (CID 83035515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).