methyl 3-[4-(2-hydroxyacetyl)oxyphenyl]-2-[(2-methoxyacetyl)amino]propanoate

C15H19NO7 — CID 16719254

IUPACmethyl 3-[4-(2-hydroxyacetyl)oxyphenyl]-2-[(2-methoxyacetyl)amino]propanoate
SMILESCOCC(=O)NC(Cc1ccc(OC(=O)CO)cc1)C(=O)OC
InChIInChI=1S/C15H19NO7/c1-21-9-13(18)16-12(15(20)22-2)7-10-3-5-11(6-4-10)23-14(19)8-17/h3-6,12,17H,7-9H2,1-2H3,(H,16,18)
InChIKeyBAXDCIWTUKPUKO-UHFFFAOYSA-N
MW325.32 g/mol
LogP-0.57
Rot. Bonds8

About methyl 3-[4-(2-hydroxyacetyl)oxyphenyl]-2-[(2-methoxyacetyl)amino]propanoate

methyl 3-[4-(2-hydroxyacetyl)oxyphenyl]-2-[(2-methoxyacetyl)amino]propanoate (PubChem CID 16719254) has the molecular formula C15H19NO7 and a molecular weight of 325.32 g/mol. Its IUPAC name is methyl 3-[4-(2-hydroxyacetyl)oxyphenyl]-2-[(2-methoxyacetyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(2-hydroxyacetyl)oxyphenyl]-2-[(2-methoxyacetyl)amino]propanoate
PubChem CID16719254
Molecular FormulaC15H19NO7
Molecular Weight325.32 g/mol
Exact Mass325.12
IUPAC Namemethyl 3-[4-(2-hydroxyacetyl)oxyphenyl]-2-[(2-methoxyacetyl)amino]propanoate
SMILESCOCC(=O)NC(Cc1ccc(OC(=O)CO)cc1)C(=O)OC
InChIInChI=1S/C15H19NO7/c1-21-9-13(18)16-12(15(20)22-2)7-10-3-5-11(6-4-10)23-14(19)8-17/h3-6,12,17H,7-9H2,1-2H3,(H,16,18)
InChIKeyBAXDCIWTUKPUKO-UHFFFAOYSA-N
XLogP-0.57
TPSA111.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(4-bromophenyl)-2-[(2-methoxyacetyl)amino]propanoate
CID 123945198
methyl (2R)-2-acetamido-3-(4-acetyloxyphenyl)propanoate
CID 11818302
methyl 2-[[2-(4-ethoxyphenyl)acetyl]amino]-3-phenylpropanoate
CID 110493570
methyl (2S)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-phenylpropanoate
CID 40744068
2-[(2-methoxyacetyl)amino]-3-phenylpropanoic acid
CID 16774532
methyl (2S)-2-acetamido-3-(4-methoxyphenyl)propanoate
CID 6950955
(2S)-2-methoxy-3-[4-[2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethoxy]phenyl]propanoic acid
CID 58646642
methyl (2S)-2-[(2-chloroacetyl)amino]-3-(4-fluorophenyl)propanoate
CID 166407659
methyl (2S)-2-(3-methoxypropanoylamino)-3-phenylpropanoate
CID 146266901
methyl (2R)-2-(2,2-dimethylpropanoylamino)-3-(4-methoxyphenyl)propanoate
CID 175334706
3-O-[4-[3-(methoxymethoxy)-2-[3-(4-methoxyphenyl)propanoylamino]-3-oxopropyl]phenyl] 1-O-(3-oxobutanoyloxymethyl) propanedioate
CID 58651899
methyl (2R)-3-(4-methoxyphenyl)-2-(methylamino)propanoate
CID 10889521

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(2-hydroxyacetyl)oxyphenyl]-2-[(2-methoxyacetyl)amino]propanoate?
The IUPAC name of methyl 3-[4-(2-hydroxyacetyl)oxyphenyl]-2-[(2-methoxyacetyl)amino]propanoate (CID 16719254) is methyl 3-[4-(2-hydroxyacetyl)oxyphenyl]-2-[(2-methoxyacetyl)amino]propanoate.
What is the SMILES notation for methyl 3-[4-(2-hydroxyacetyl)oxyphenyl]-2-[(2-methoxyacetyl)amino]propanoate?
The canonical SMILES for methyl 3-[4-(2-hydroxyacetyl)oxyphenyl]-2-[(2-methoxyacetyl)amino]propanoate is COCC(=O)NC(Cc1ccc(OC(=O)CO)cc1)C(=O)OC.
What is the InChIKey of methyl 3-[4-(2-hydroxyacetyl)oxyphenyl]-2-[(2-methoxyacetyl)amino]propanoate?
The InChIKey is BAXDCIWTUKPUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO7/c1-21-9-13(18)16-12(15(20)22-2)7-10-3-5-11(6-4-10)23-14(19)8-17/h3-6,12,17H,7-9H2,1-2H3,(H,16,18).
What are the key properties of methyl 3-[4-(2-hydroxyacetyl)oxyphenyl]-2-[(2-methoxyacetyl)amino]propanoate?
methyl 3-[4-(2-hydroxyacetyl)oxyphenyl]-2-[(2-methoxyacetyl)amino]propanoate has a molecular weight of 325.32 g/mol, XLogP of -0.57, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(2-hydroxyacetyl)oxyphenyl]-2-[(2-methoxyacetyl)amino]propanoate is sourced from PubChem (CID 16719254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).