acetamido 3-phenoxypropanoate

C11H13NO4 — CID 57060958

IUPACacetamido 3-phenoxypropanoate
SMILESCC(=O)NOC(=O)CCOc1ccccc1
InChIInChI=1S/C11H13NO4/c1-9(13)12-16-11(14)7-8-15-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,12,13)
InChIKeyOZJJSLJXKBQVJB-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.05
Rot. Bonds4

About acetamido 3-phenoxypropanoate

acetamido 3-phenoxypropanoate (PubChem CID 57060958) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is acetamido 3-phenoxypropanoate.

Molecular Properties

Compound Nameacetamido 3-phenoxypropanoate
PubChem CID57060958
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Nameacetamido 3-phenoxypropanoate
SMILESCC(=O)NOC(=O)CCOc1ccccc1
InChIInChI=1S/C11H13NO4/c1-9(13)12-16-11(14)7-8-15-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,12,13)
InChIKeyOZJJSLJXKBQVJB-UHFFFAOYSA-N
XLogP1.05
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

propyl 3-phenoxypropanoate
CID 43389568
ethyl 3-phenoxypropanoate;hydrochloride
CID 172712926
N-(2-acetamidoethyl)-3-phenoxypropanamide
CID 46684252
(4-phenoxybutanoylamino) acetate
CID 175438575
5-methyl-1-phenoxyhex-5-en-3-one
CID 79180149
N'-acetyl-4-phenoxybutanehydrazide
CID 30905746
[(2S)-1-anilino-1-oxopropan-2-yl] 3-phenoxypropanoate
CID 9139840
[2-(ethoxycarbonylamino)-2-oxoethyl] 3-phenoxypropanoate
CID 7841440
N-[(2-methylpropan-2-yl)oxy]-3-phenoxypropanamide
CID 82724045
manganese;3-phenoxypropanoic acid;zirconium
CID 175105332
1-phenoxyhexan-3-one
CID 60797707
1-methoxy-5-phenoxypentan-3-one
CID 114998471

Frequently Asked Questions

What is the IUPAC name of acetamido 3-phenoxypropanoate?
The IUPAC name of acetamido 3-phenoxypropanoate (CID 57060958) is acetamido 3-phenoxypropanoate.
What is the SMILES notation for acetamido 3-phenoxypropanoate?
The canonical SMILES for acetamido 3-phenoxypropanoate is CC(=O)NOC(=O)CCOc1ccccc1.
What is the InChIKey of acetamido 3-phenoxypropanoate?
The InChIKey is OZJJSLJXKBQVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-9(13)12-16-11(14)7-8-15-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,12,13).
What are the key properties of acetamido 3-phenoxypropanoate?
acetamido 3-phenoxypropanoate has a molecular weight of 223.23 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetamido 3-phenoxypropanoate is sourced from PubChem (CID 57060958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).