methyl 2-[2-[(1R)-1-aminoethyl]phenoxy]propanoate

C12H17NO3 — CID 63367072

IUPACmethyl 2-[2-[(1R)-1-aminoethyl]phenoxy]propanoate
SMILESCOC(=O)C(C)Oc1ccccc1[C@@H](C)N
InChIInChI=1S/C12H17NO3/c1-8(13)10-6-4-5-7-11(10)16-9(2)12(14)15-3/h4-9H,13H2,1-3H3/t8-,9?/m1/s1
InChIKeyYBPUBJOSDMNGOE-VEDVMXKPSA-N
MW223.27 g/mol
LogP1.65
Rot. Bonds4

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

methyl 2-[2-[(1R)-1-aminoethyl]phenoxy]propanoate (PubChem CID 63367072) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is methyl 2-[2-[(1R)-1-aminoethyl]phenoxy]propanoate.

Molecular Properties

Compound Namemethyl 2-[2-[(1R)-1-aminoethyl]phenoxy]propanoate
PubChem CID63367072
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namemethyl 2-[2-[(1R)-1-aminoethyl]phenoxy]propanoate
SMILESCOC(=O)C(C)Oc1ccccc1[C@@H](C)N
InChIInChI=1S/C12H17NO3/c1-8(13)10-6-4-5-7-11(10)16-9(2)12(14)15-3/h4-9H,13H2,1-3H3/t8-,9?/m1/s1
InChIKeyYBPUBJOSDMNGOE-VEDVMXKPSA-N
XLogP1.65
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-ethoxyphenoxy)propanoate
CID 60643182
methyl 2-[2-(1-aminoethyl)-5-methoxyphenoxy]propanoate
CID 82000173
2-[2-[(1R)-1-aminoethyl]phenoxy]-N-pentan-3-ylpropanamide
CID 63366990
2-[2-(1-aminoethyl)phenoxy]-N-prop-2-ynylpropanamide
CID 60879566
methyl 2-(2-ethylphenoxy)propanoate
CID 60643103
methyl (2R)-2-(2-ethylphenoxy)propanoate
CID 103337851
methyl 2-(2-acetamidophenoxy)propanoate
CID 54941686
methyl (2S)-2-[2-(hydroxymethyl)phenoxy]propanoate
CID 103338014
methyl 2-(2-cyanophenoxy)propanoate
CID 21465360
2-[2-[(1R)-1-aminoethyl]phenoxy]butanoic acid
CID 78996826
methyl (2S)-2-(2-methoxyphenyl)propanoate
CID 12867082
methyl 2-[(1S)-1-aminoethyl]benzoate
CID 130987830

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(1R)-1-aminoethyl]phenoxy]propanoate?
The IUPAC name of methyl 2-[2-[(1R)-1-aminoethyl]phenoxy]propanoate (CID 63367072) is methyl 2-[2-[(1R)-1-aminoethyl]phenoxy]propanoate.
What is the SMILES notation for methyl 2-[2-[(1R)-1-aminoethyl]phenoxy]propanoate?
The canonical SMILES for methyl 2-[2-[(1R)-1-aminoethyl]phenoxy]propanoate is COC(=O)C(C)Oc1ccccc1[C@@H](C)N.
What is the InChIKey of methyl 2-[2-[(1R)-1-aminoethyl]phenoxy]propanoate?
The InChIKey is YBPUBJOSDMNGOE-VEDVMXKPSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8(13)10-6-4-5-7-11(10)16-9(2)12(14)15-3/h4-9H,13H2,1-3H3/t8-,9?/m1/s1.
What are the key properties of methyl 2-[2-[(1R)-1-aminoethyl]phenoxy]propanoate?
methyl 2-[2-[(1R)-1-aminoethyl]phenoxy]propanoate has a molecular weight of 223.27 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(1R)-1-aminoethyl]phenoxy]propanoate is sourced from PubChem (CID 63367072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).