3-[methyl-[2-(4-propanoylphenoxy)acetyl]amino]propanoic acid

C15H19NO5 — CID 75405754

IUPAC3-[methyl-[2-(4-propanoylphenoxy)acetyl]amino]propanoic acid
SMILESCCC(=O)c1ccc(OCC(=O)N(C)CCC(=O)O)cc1
InChIInChI=1S/C15H19NO5/c1-3-13(17)11-4-6-12(7-5-11)21-10-14(18)16(2)9-8-15(19)20/h4-7H,3,8-10H2,1-2H3,(H,19,20)
InChIKeyLPDDSXTXLBABTE-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.59
Rot. Bonds8

About 3-[methyl-[2-(4-propanoylphenoxy)acetyl]amino]propanoic acid

3-[methyl-[2-(4-propanoylphenoxy)acetyl]amino]propanoic acid (PubChem CID 75405754) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-[methyl-[2-(4-propanoylphenoxy)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[2-(4-propanoylphenoxy)acetyl]amino]propanoic acid
PubChem CID75405754
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name3-[methyl-[2-(4-propanoylphenoxy)acetyl]amino]propanoic acid
SMILESCCC(=O)c1ccc(OCC(=O)N(C)CCC(=O)O)cc1
InChIInChI=1S/C15H19NO5/c1-3-13(17)11-4-6-12(7-5-11)21-10-14(18)16(2)9-8-15(19)20/h4-7H,3,8-10H2,1-2H3,(H,19,20)
InChIKeyLPDDSXTXLBABTE-UHFFFAOYSA-N
XLogP1.59
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-methyl-2-(4-propanoylphenoxy)acetamide
CID 43243911
3-[[2-(4-formylphenoxy)acetyl]-methylamino]propanoic acid
CID 82033015
3-(4-propanoylphenoxy)propanoic acid
CID 3050237
N-methyl-N-phenyl-2-(4-propanoylphenoxy)acetamide
CID 78760468
3-[[2-(4-methoxy-3-methylphenoxy)acetyl]-methylamino]propanoic acid
CID 119362855
3-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]propanoic acid
CID 60989186
1-(4-propanoylphenoxy)pentan-2-one
CID 62043613
3-[[3-(4-ethoxyphenyl)-3-oxopropyl]amino]propanoic acid
CID 3684278
N-methyl-2-(4-propanoylphenoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 55550790
1-phenyl-3-(4-propanoylphenoxy)propan-1-one
CID 116692107
3-[methyl-(4-propanoylphenyl)sulfonylamino]propanoic acid
CID 82164400
N-(3-methoxyphenyl)-2-[methyl-[2-(4-propanoylphenoxy)acetyl]amino]acetamide
CID 7719005

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[2-(4-propanoylphenoxy)acetyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[2-(4-propanoylphenoxy)acetyl]amino]propanoic acid (CID 75405754) is 3-[methyl-[2-(4-propanoylphenoxy)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[2-(4-propanoylphenoxy)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[2-(4-propanoylphenoxy)acetyl]amino]propanoic acid is CCC(=O)c1ccc(OCC(=O)N(C)CCC(=O)O)cc1.
What is the InChIKey of 3-[methyl-[2-(4-propanoylphenoxy)acetyl]amino]propanoic acid?
The InChIKey is LPDDSXTXLBABTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-3-13(17)11-4-6-12(7-5-11)21-10-14(18)16(2)9-8-15(19)20/h4-7H,3,8-10H2,1-2H3,(H,19,20).
What are the key properties of 3-[methyl-[2-(4-propanoylphenoxy)acetyl]amino]propanoic acid?
3-[methyl-[2-(4-propanoylphenoxy)acetyl]amino]propanoic acid has a molecular weight of 293.32 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[2-(4-propanoylphenoxy)acetyl]amino]propanoic acid is sourced from PubChem (CID 75405754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).