ethyl 2-amino-4-(2-phenoxyethoxy)butanoate

C14H21NO4 — CID 63039473

IUPACethyl 2-amino-4-(2-phenoxyethoxy)butanoate
SMILESCCOC(=O)C(N)CCOCCOc1ccccc1
InChIInChI=1S/C14H21NO4/c1-2-18-14(16)13(15)8-9-17-10-11-19-12-6-4-3-5-7-12/h3-7,13H,2,8-11,15H2,1H3
InChIKeySJUIHLAUSJRTPG-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.36
Rot. Bonds9

About ethyl 2-amino-4-(2-phenoxyethoxy)butanoate

ethyl 2-amino-4-(2-phenoxyethoxy)butanoate (PubChem CID 63039473) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is ethyl 2-amino-4-(2-phenoxyethoxy)butanoate.

Molecular Properties

Compound Nameethyl 2-amino-4-(2-phenoxyethoxy)butanoate
PubChem CID63039473
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Nameethyl 2-amino-4-(2-phenoxyethoxy)butanoate
SMILESCCOC(=O)C(N)CCOCCOc1ccccc1
InChIInChI=1S/C14H21NO4/c1-2-18-14(16)13(15)8-9-17-10-11-19-12-6-4-3-5-7-12/h3-7,13H,2,8-11,15H2,1H3
InChIKeySJUIHLAUSJRTPG-UHFFFAOYSA-N
XLogP1.36
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-amino-4-(4-methylphenoxy)butanoate
CID 63041349
ethyl 2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoate
CID 104563527
benzyl 2-amino-4-phenoxybutanoate
CID 174617727
2-ethoxycarbonyl-5-phenoxypentanoic acid
CID 54066512
ethyl (2S)-2-amino-4-ethoxybutanoate
CID 22839428
2-butoxyethyl acetate;2-phenoxyethyl acetate
CID 159790412
ethyl 2-amino-4-(4-nitrophenoxy)butanoate
CID 63039415
ethyl 2-amino-4-(2-propan-2-yloxyethoxy)butanoate
CID 63038922
diethyl 2-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]propanedioate
CID 2922326
ethane;2-[4-(2-phenoxyethoxy)butoxy]acetamide
CID 142386396
2-(2-phenoxyethoxy)ethyl octadecanoate
CID 18459535
butyl 2-(2-phenoxyethoxy)acetate
CID 54941982

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(2-phenoxyethoxy)butanoate?
The IUPAC name of ethyl 2-amino-4-(2-phenoxyethoxy)butanoate (CID 63039473) is ethyl 2-amino-4-(2-phenoxyethoxy)butanoate.
What is the SMILES notation for ethyl 2-amino-4-(2-phenoxyethoxy)butanoate?
The canonical SMILES for ethyl 2-amino-4-(2-phenoxyethoxy)butanoate is CCOC(=O)C(N)CCOCCOc1ccccc1.
What is the InChIKey of ethyl 2-amino-4-(2-phenoxyethoxy)butanoate?
The InChIKey is SJUIHLAUSJRTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-2-18-14(16)13(15)8-9-17-10-11-19-12-6-4-3-5-7-12/h3-7,13H,2,8-11,15H2,1H3.
What are the key properties of ethyl 2-amino-4-(2-phenoxyethoxy)butanoate?
ethyl 2-amino-4-(2-phenoxyethoxy)butanoate has a molecular weight of 267.32 g/mol, XLogP of 1.36, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(2-phenoxyethoxy)butanoate is sourced from PubChem (CID 63039473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).