2-[2-amino-N-(2-methoxyethyl)anilino]acetic acid

C11H16N2O3 — CID 63118751

IUPAC2-[2-amino-N-(2-methoxyethyl)anilino]acetic acid
SMILESCOCCN(CC(=O)O)c1ccccc1N
InChIInChI=1S/C11H16N2O3/c1-16-7-6-13(8-11(14)15)10-5-3-2-4-9(10)12/h2-5H,6-8,12H2,1H3,(H,14,15)
InChIKeyKMTUZBSKCULIDV-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.81
Rot. Bonds6

About 2-[2-amino-N-(2-methoxyethyl)anilino]acetic acid

2-[2-amino-N-(2-methoxyethyl)anilino]acetic acid (PubChem CID 63118751) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[2-amino-N-(2-methoxyethyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[2-amino-N-(2-methoxyethyl)anilino]acetic acid
PubChem CID63118751
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-[2-amino-N-(2-methoxyethyl)anilino]acetic acid
SMILESCOCCN(CC(=O)O)c1ccccc1N
InChIInChI=1S/C11H16N2O3/c1-16-7-6-13(8-11(14)15)10-5-3-2-4-9(10)12/h2-5H,6-8,12H2,1H3,(H,14,15)
InChIKeyKMTUZBSKCULIDV-UHFFFAOYSA-N
XLogP0.81
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-carbamoyl-N-(2-methoxyethyl)anilino]acetic acid
CID 54969050
2-[2-amino-N-[2-(3-methylbutoxy)ethyl]anilino]acetic acid
CID 63118737
2-[2-amino-N-(2-fluoroethyl)anilino]acetic acid
CID 80696045
2-[2-amino-N-(2-thiophen-2-ylethyl)anilino]acetic acid
CID 63773832
3-[2-amino-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]anilino]propanoic acid
CID 115942878
2-[2-amino-N-[2-(2-oxo-1-pyridinyl)ethyl]anilino]acetic acid
CID 82898998
2-[N-(2-methoxyethyl)-4-methylanilino]acetic acid
CID 60839571
4-amino-3-[bis(2-methoxyethyl)amino]benzoic acid
CID 82785312
2-(2-amino-N-[2-(butan-2-ylamino)-2-oxoethyl]anilino)acetic acid
CID 63118776
2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine
CID 61453395
3-(2-amino-N-propylanilino)propanoic acid
CID 63118513
2-[2-amino-N-[(2,6-difluorophenyl)methyl]anilino]acetic acid
CID 114930488

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-N-(2-methoxyethyl)anilino]acetic acid?
The IUPAC name of 2-[2-amino-N-(2-methoxyethyl)anilino]acetic acid (CID 63118751) is 2-[2-amino-N-(2-methoxyethyl)anilino]acetic acid.
What is the SMILES notation for 2-[2-amino-N-(2-methoxyethyl)anilino]acetic acid?
The canonical SMILES for 2-[2-amino-N-(2-methoxyethyl)anilino]acetic acid is COCCN(CC(=O)O)c1ccccc1N.
What is the InChIKey of 2-[2-amino-N-(2-methoxyethyl)anilino]acetic acid?
The InChIKey is KMTUZBSKCULIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-16-7-6-13(8-11(14)15)10-5-3-2-4-9(10)12/h2-5H,6-8,12H2,1H3,(H,14,15).
What are the key properties of 2-[2-amino-N-(2-methoxyethyl)anilino]acetic acid?
2-[2-amino-N-(2-methoxyethyl)anilino]acetic acid has a molecular weight of 224.26 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-N-(2-methoxyethyl)anilino]acetic acid is sourced from PubChem (CID 63118751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).