2-[N-[2-(2-hydroxyethoxy)ethyl]anilino]acetic acid

C12H17NO4 — CID 61070339

IUPAC2-[N-[2-(2-hydroxyethoxy)ethyl]anilino]acetic acid
SMILESO=C(O)CN(CCOCCO)c1ccccc1
InChIInChI=1S/C12H17NO4/c14-7-9-17-8-6-13(10-12(15)16)11-4-2-1-3-5-11/h1-5,14H,6-10H2,(H,15,16)
InChIKeyOWCGGQVDWDLAMX-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.59
Rot. Bonds8

About 2-[N-[2-(2-hydroxyethoxy)ethyl]anilino]acetic acid

2-[N-[2-(2-hydroxyethoxy)ethyl]anilino]acetic acid (PubChem CID 61070339) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[N-[2-(2-hydroxyethoxy)ethyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[N-[2-(2-hydroxyethoxy)ethyl]anilino]acetic acid
PubChem CID61070339
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name2-[N-[2-(2-hydroxyethoxy)ethyl]anilino]acetic acid
SMILESO=C(O)CN(CCOCCO)c1ccccc1
InChIInChI=1S/C12H17NO4/c14-7-9-17-8-6-13(10-12(15)16)11-4-2-1-3-5-11/h1-5,14H,6-10H2,(H,15,16)
InChIKeyOWCGGQVDWDLAMX-UHFFFAOYSA-N
XLogP0.59
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[N-(2-fluoroethyl)anilino]acetic acid
CID 80695763
2-[2-[2-[2-[2-(N-methylanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 101064678
2-(N-(3-methoxy-3-oxopropyl)anilino)acetic acid
CID 71150881
2-[2-(2-hydroxyethoxy)ethyl-methylcarbamoyl]benzoic acid
CID 114243031
N,N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]aniline
CID 169196905
2-[N-(3,3,3-trifluoropropyl)anilino]acetic acid
CID 64566938
3-[N-(2-butoxyethyl)anilino]propanoic acid
CID 61483721
CID 131887709
CID 131887709
2-[N-[2-(4-methylphenyl)sulfonyloxyethyl]anilino]acetic acid
CID 87508306
2-[N-(4-phenylbutyl)anilino]acetic acid
CID 114334085
2-[N-(2-sulfamoylethyl)anilino]acetic acid
CID 114385326
2-(N-(3-hydroxy-3-methylbutyl)anilino)acetic acid
CID 79354763

Frequently Asked Questions

What is the IUPAC name of 2-[N-[2-(2-hydroxyethoxy)ethyl]anilino]acetic acid?
The IUPAC name of 2-[N-[2-(2-hydroxyethoxy)ethyl]anilino]acetic acid (CID 61070339) is 2-[N-[2-(2-hydroxyethoxy)ethyl]anilino]acetic acid.
What is the SMILES notation for 2-[N-[2-(2-hydroxyethoxy)ethyl]anilino]acetic acid?
The canonical SMILES for 2-[N-[2-(2-hydroxyethoxy)ethyl]anilino]acetic acid is O=C(O)CN(CCOCCO)c1ccccc1.
What is the InChIKey of 2-[N-[2-(2-hydroxyethoxy)ethyl]anilino]acetic acid?
The InChIKey is OWCGGQVDWDLAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c14-7-9-17-8-6-13(10-12(15)16)11-4-2-1-3-5-11/h1-5,14H,6-10H2,(H,15,16).
What are the key properties of 2-[N-[2-(2-hydroxyethoxy)ethyl]anilino]acetic acid?
2-[N-[2-(2-hydroxyethoxy)ethyl]anilino]acetic acid has a molecular weight of 239.27 g/mol, XLogP of 0.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[2-(2-hydroxyethoxy)ethyl]anilino]acetic acid is sourced from PubChem (CID 61070339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).