2-phenoxyethyl 2-aminopropanoate

C11H15NO3 — CID 61301873

IUPAC2-phenoxyethyl 2-aminopropanoate
SMILESCC(N)C(=O)OCCOc1ccccc1
InChIInChI=1S/C11H15NO3/c1-9(12)11(13)15-8-7-14-10-5-3-2-4-6-10/h2-6,9H,7-8,12H2,1H3
InChIKeyHWKPZGKQHDFIPY-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.96
Rot. Bonds5

About 2-phenoxyethyl 2-aminopropanoate

2-phenoxyethyl 2-aminopropanoate (PubChem CID 61301873) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-phenoxyethyl 2-aminopropanoate.

Molecular Properties

Compound Name2-phenoxyethyl 2-aminopropanoate
PubChem CID61301873
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name2-phenoxyethyl 2-aminopropanoate
SMILESCC(N)C(=O)OCCOc1ccccc1
InChIInChI=1S/C11H15NO3/c1-9(12)11(13)15-8-7-14-10-5-3-2-4-6-10/h2-6,9H,7-8,12H2,1H3
InChIKeyHWKPZGKQHDFIPY-UHFFFAOYSA-N
XLogP0.96
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-phenoxyethyl 3-amino-2-methylpropanoate
CID 62671141
2-phenoxyethyl 2-(methylamino)propanoate
CID 62638181
2-amino-N-(2-phenoxyethyl)propanamide;hydrochloride
CID 119268582
2-phenoxyethyl 3-amino-2-methoxypropanoate
CID 114144555
2-phenoxyethyl 2-aminoacetate
CID 61302270
2-phenoxyethyl 2-oxobutanoate
CID 71400908
2-phenoxyethyl 4-propan-2-yloxybenzoate
CID 23011936
2-phenoxyethyl 3,7-dimethyloctanoate
CID 59236958
butane;3-oxo-3-(2-phenoxyethoxy)propanoic acid
CID 70425950
2-(2-phenoxyethoxy)propanehydrazide
CID 63586818
2-phenoxyethyl (E)-2-methyl-5-phenoxypent-2-enoate
CID 176610982
benzyl (2S)-2-aminopropanoate
CID 726858

Frequently Asked Questions

What is the IUPAC name of 2-phenoxyethyl 2-aminopropanoate?
The IUPAC name of 2-phenoxyethyl 2-aminopropanoate (CID 61301873) is 2-phenoxyethyl 2-aminopropanoate.
What is the SMILES notation for 2-phenoxyethyl 2-aminopropanoate?
The canonical SMILES for 2-phenoxyethyl 2-aminopropanoate is CC(N)C(=O)OCCOc1ccccc1.
What is the InChIKey of 2-phenoxyethyl 2-aminopropanoate?
The InChIKey is HWKPZGKQHDFIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-9(12)11(13)15-8-7-14-10-5-3-2-4-6-10/h2-6,9H,7-8,12H2,1H3.
What are the key properties of 2-phenoxyethyl 2-aminopropanoate?
2-phenoxyethyl 2-aminopropanoate has a molecular weight of 209.25 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyethyl 2-aminopropanoate is sourced from PubChem (CID 61301873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).