2-(2-hydroxyethoxy)ethyl 2-(3-aminophenyl)propanoate

C13H19NO4 — CID 106592581

IUPAC2-(2-hydroxyethoxy)ethyl 2-(3-aminophenyl)propanoate
SMILESCC(C(=O)OCCOCCO)c1cccc(N)c1
InChIInChI=1S/C13H19NO4/c1-10(11-3-2-4-12(14)9-11)13(16)18-8-7-17-6-5-15/h2-4,9-10,15H,5-8,14H2,1H3
InChIKeyHFCBMOHMYWCHOH-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.92
Rot. Bonds7

About 2-(2-hydroxyethoxy)ethyl 2-(3-aminophenyl)propanoate

2-(2-hydroxyethoxy)ethyl 2-(3-aminophenyl)propanoate (PubChem CID 106592581) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethyl 2-(3-aminophenyl)propanoate.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethyl 2-(3-aminophenyl)propanoate
PubChem CID106592581
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name2-(2-hydroxyethoxy)ethyl 2-(3-aminophenyl)propanoate
SMILESCC(C(=O)OCCOCCO)c1cccc(N)c1
InChIInChI=1S/C13H19NO4/c1-10(11-3-2-4-12(14)9-11)13(16)18-8-7-17-6-5-15/h2-4,9-10,15H,5-8,14H2,1H3
InChIKeyHFCBMOHMYWCHOH-UHFFFAOYSA-N
XLogP0.92
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxypropyl 2-(3-aminophenyl)propanoate
CID 106592560
(3-methoxy-3-methylbutyl) 2-(3-aminophenyl)propanoate
CID 106592409
4-cyanobutyl 2-(3-aminophenyl)propanoate
CID 106592466
3-pyrrolidin-1-ylpropyl 2-(3-aminophenyl)propanoate
CID 106592484
(2-oxo-2-piperidin-1-ylethyl) 2-(3-aminophenyl)propanoate
CID 106592536
(4-fluorophenyl)methyl 2-(3-aminophenyl)propanoate
CID 106592381
2-(3-aminophenyl)propanoate
CID 71650577
2-[2-[(2R)-2-(3-benzoylphenyl)propanoyl]oxyethoxy]acetic acid
CID 124835055
2-(3-aminophenyl)-N,N-bis(2-methoxyethyl)propanamide
CID 106590951
(4-methyl-1,3-thiazol-2-yl)methyl 2-(3-aminophenyl)propanoate
CID 106592387
(2-cyanophenyl)methyl 2-(3-aminophenyl)propanoate
CID 106592473
(4-fluoro-2-methylphenyl)methyl 2-(3-aminophenyl)propanoate
CID 106592457

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethyl 2-(3-aminophenyl)propanoate?
The IUPAC name of 2-(2-hydroxyethoxy)ethyl 2-(3-aminophenyl)propanoate (CID 106592581) is 2-(2-hydroxyethoxy)ethyl 2-(3-aminophenyl)propanoate.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethyl 2-(3-aminophenyl)propanoate?
The canonical SMILES for 2-(2-hydroxyethoxy)ethyl 2-(3-aminophenyl)propanoate is CC(C(=O)OCCOCCO)c1cccc(N)c1.
What is the InChIKey of 2-(2-hydroxyethoxy)ethyl 2-(3-aminophenyl)propanoate?
The InChIKey is HFCBMOHMYWCHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-10(11-3-2-4-12(14)9-11)13(16)18-8-7-17-6-5-15/h2-4,9-10,15H,5-8,14H2,1H3.
What are the key properties of 2-(2-hydroxyethoxy)ethyl 2-(3-aminophenyl)propanoate?
2-(2-hydroxyethoxy)ethyl 2-(3-aminophenyl)propanoate has a molecular weight of 253.30 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethyl 2-(3-aminophenyl)propanoate is sourced from PubChem (CID 106592581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).