2-propoxyethyl 2-amino-2-phenylacetate

C13H19NO3 — CID 55234460

IUPAC2-propoxyethyl 2-amino-2-phenylacetate
SMILESCCCOCCOC(=O)C(N)c1ccccc1
InChIInChI=1S/C13H19NO3/c1-2-8-16-9-10-17-13(15)12(14)11-6-4-3-5-7-11/h3-7,12H,2,8-10,14H2,1H3
InChIKeyPOLFPXSFMHNRFC-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.66
Rot. Bonds7

About 2-propoxyethyl 2-amino-2-phenylacetate

2-propoxyethyl 2-amino-2-phenylacetate (PubChem CID 55234460) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-propoxyethyl 2-amino-2-phenylacetate.

Molecular Properties

Compound Name2-propoxyethyl 2-amino-2-phenylacetate
PubChem CID55234460
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-propoxyethyl 2-amino-2-phenylacetate
SMILESCCCOCCOC(=O)C(N)c1ccccc1
InChIInChI=1S/C13H19NO3/c1-2-8-16-9-10-17-13(15)12(14)11-6-4-3-5-7-11/h3-7,12H,2,8-10,14H2,1H3
InChIKeyPOLFPXSFMHNRFC-UHFFFAOYSA-N
XLogP1.66
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.66
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-butoxyethyl (2R)-2-amino-2-phenylacetate
CID 61302671
2-ethoxyethyl 2-amino-2-phenylacetate
CID 61278418
ethyl (2R)-2-amino-2-phenylacetate
CID 6922658
2-(2-methylpropoxy)ethyl (2S)-2-amino-2-phenylacetate
CID 106448098
ethyl 2-amino-2-phenylacetate chloride
CID 3083657
[(Z)-octadec-9-enyl] (2S)-2-amino-2-phenylacetate
CID 24894063
2-methylpropyl (2R)-2-amino-2-phenylacetate
CID 61278245
propyl (2R)-2-phenylpropanoate
CID 14926551
propyl (2R)-2-amino-2-(4-methoxyphenyl)acetate
CID 163303603
2-cyclopropylethyl (2S)-2-amino-2-phenylacetate
CID 106202488
2-ethoxyethyl (3R)-3-amino-2-hydroxy-3-phenylpropanoate
CID 69049238
2-butoxyethyl 2-(diethylamino)-2-phenylacetate
CID 75452248

Frequently Asked Questions

What is the IUPAC name of 2-propoxyethyl 2-amino-2-phenylacetate?
The IUPAC name of 2-propoxyethyl 2-amino-2-phenylacetate (CID 55234460) is 2-propoxyethyl 2-amino-2-phenylacetate.
What is the SMILES notation for 2-propoxyethyl 2-amino-2-phenylacetate?
The canonical SMILES for 2-propoxyethyl 2-amino-2-phenylacetate is CCCOCCOC(=O)C(N)c1ccccc1.
What is the InChIKey of 2-propoxyethyl 2-amino-2-phenylacetate?
The InChIKey is POLFPXSFMHNRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-2-8-16-9-10-17-13(15)12(14)11-6-4-3-5-7-11/h3-7,12H,2,8-10,14H2,1H3.
What are the key properties of 2-propoxyethyl 2-amino-2-phenylacetate?
2-propoxyethyl 2-amino-2-phenylacetate has a molecular weight of 237.30 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxyethyl 2-amino-2-phenylacetate is sourced from PubChem (CID 55234460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).