methyl 2-[3-(2-methylphenoxy)propanoylamino]propanoate

C14H19NO4 — CID 60638161

IUPACmethyl 2-[3-(2-methylphenoxy)propanoylamino]propanoate
SMILESCOC(=O)C(C)NC(=O)CCOc1ccccc1C
InChIInChI=1S/C14H19NO4/c1-10-6-4-5-7-12(10)19-9-8-13(16)15-11(2)14(17)18-3/h4-7,11H,8-9H2,1-3H3,(H,15,16)
InChIKeyPURQKBJIKLCKNS-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.44
Rot. Bonds6

About methyl 2-[3-(2-methylphenoxy)propanoylamino]propanoate

methyl 2-[3-(2-methylphenoxy)propanoylamino]propanoate (PubChem CID 60638161) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 2-[3-(2-methylphenoxy)propanoylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[3-(2-methylphenoxy)propanoylamino]propanoate
PubChem CID60638161
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 2-[3-(2-methylphenoxy)propanoylamino]propanoate
SMILESCOC(=O)C(C)NC(=O)CCOc1ccccc1C
InChIInChI=1S/C14H19NO4/c1-10-6-4-5-7-12(10)19-9-8-13(16)15-11(2)14(17)18-3/h4-7,11H,8-9H2,1-3H3,(H,15,16)
InChIKeyPURQKBJIKLCKNS-UHFFFAOYSA-N
XLogP1.44
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-(2-chlorophenoxy)propanoylamino]propanoate
CID 60753235
methyl 2-[3-(2-fluorophenoxy)propanoylamino]propanoate
CID 60638002
ethyl 2-[4-(2-methylphenoxy)butanoylamino]propanoate
CID 61343880
N-[(2R)-1-hydroxypropan-2-yl]-3-(2-methylphenoxy)propanamide
CID 79027770
methyl (2R)-2-(3-phenoxypropanoylamino)propanoate
CID 113257886
3-[3-(2-methylphenoxy)propanoylamino]butanoic acid
CID 43240704
N-methyl-3-(2-methylphenoxy)propanamide
CID 60637088
N-[(2S)-1-hydroxybutan-2-yl]-3-(2-methylphenoxy)propanamide
CID 104981198
4-methoxy-2-[3-(2-methylphenoxy)propanoylamino]butanoic acid
CID 62478591
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(2-methylphenoxy)propanamide
CID 9218369
N-ethoxy-3-(2-methylphenoxy)propanamide
CID 60717709
(2S)-2-[[2-(2-methylphenoxy)acetyl]amino]propanoate
CID 9157045

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(2-methylphenoxy)propanoylamino]propanoate?
The IUPAC name of methyl 2-[3-(2-methylphenoxy)propanoylamino]propanoate (CID 60638161) is methyl 2-[3-(2-methylphenoxy)propanoylamino]propanoate.
What is the SMILES notation for methyl 2-[3-(2-methylphenoxy)propanoylamino]propanoate?
The canonical SMILES for methyl 2-[3-(2-methylphenoxy)propanoylamino]propanoate is COC(=O)C(C)NC(=O)CCOc1ccccc1C.
What is the InChIKey of methyl 2-[3-(2-methylphenoxy)propanoylamino]propanoate?
The InChIKey is PURQKBJIKLCKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10-6-4-5-7-12(10)19-9-8-13(16)15-11(2)14(17)18-3/h4-7,11H,8-9H2,1-3H3,(H,15,16).
What are the key properties of methyl 2-[3-(2-methylphenoxy)propanoylamino]propanoate?
methyl 2-[3-(2-methylphenoxy)propanoylamino]propanoate has a molecular weight of 265.31 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(2-methylphenoxy)propanoylamino]propanoate is sourced from PubChem (CID 60638161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).