2-[2-amino-N-[2-(3-methylbutoxy)ethyl]anilino]acetic acid

C15H24N2O3 — CID 63118737

IUPAC2-[2-amino-N-[2-(3-methylbutoxy)ethyl]anilino]acetic acid
SMILESCC(C)CCOCCN(CC(=O)O)c1ccccc1N
InChIInChI=1S/C15H24N2O3/c1-12(2)7-9-20-10-8-17(11-15(18)19)14-6-4-3-5-13(14)16/h3-6,12H,7-11,16H2,1-2H3,(H,18,19)
InChIKeyLCXWJNRLYVDWLT-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.22
Rot. Bonds9

About 2-[2-amino-N-[2-(3-methylbutoxy)ethyl]anilino]acetic acid

2-[2-amino-N-[2-(3-methylbutoxy)ethyl]anilino]acetic acid (PubChem CID 63118737) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[2-amino-N-[2-(3-methylbutoxy)ethyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[2-amino-N-[2-(3-methylbutoxy)ethyl]anilino]acetic acid
PubChem CID63118737
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[2-amino-N-[2-(3-methylbutoxy)ethyl]anilino]acetic acid
SMILESCC(C)CCOCCN(CC(=O)O)c1ccccc1N
InChIInChI=1S/C15H24N2O3/c1-12(2)7-9-20-10-8-17(11-15(18)19)14-6-4-3-5-13(14)16/h3-6,12H,7-11,16H2,1-2H3,(H,18,19)
InChIKeyLCXWJNRLYVDWLT-UHFFFAOYSA-N
XLogP2.22
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-amino-N-[2-(3-methylbutoxy)ethyl]anilino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-[2-(3-methylbutoxy)ethyl]-2-N-propylbenzene-1,2-diamine
CID 55174201
2-[2-amino-N-(2-methoxyethyl)anilino]acetic acid
CID 63118751
2-[2-amino-N-(2-fluoroethyl)anilino]acetic acid
CID 80696045
2-(2-amino-N-[2-(butan-2-ylamino)-2-oxoethyl]anilino)acetic acid
CID 63118776
2-N-[2-(2-methylpropoxy)ethyl]-2-N-propylbenzene-1,2-diamine
CID 106453609
2-[2-amino-N-[2-(2-oxo-1-pyridinyl)ethyl]anilino]acetic acid
CID 82898998
2-[methyl-[2-(3-methylbutoxy)ethyl]amino]acetic acid
CID 61484389
2-(3-methylbutoxy)ethyl 2-aminobenzoate
CID 54956515
propan-2-yl 2-(2-amino-N-propylanilino)acetate
CID 63230765
benzene-1,2-diol;3-methyl-1-(3-methylbutoxy)butane
CID 175551750
3-[2-amino-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]anilino]propanoic acid
CID 115942878
2-[2-amino-N-(2-thiophen-2-ylethyl)anilino]acetic acid
CID 63773832

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-N-[2-(3-methylbutoxy)ethyl]anilino]acetic acid?
The IUPAC name of 2-[2-amino-N-[2-(3-methylbutoxy)ethyl]anilino]acetic acid (CID 63118737) is 2-[2-amino-N-[2-(3-methylbutoxy)ethyl]anilino]acetic acid.
What is the SMILES notation for 2-[2-amino-N-[2-(3-methylbutoxy)ethyl]anilino]acetic acid?
The canonical SMILES for 2-[2-amino-N-[2-(3-methylbutoxy)ethyl]anilino]acetic acid is CC(C)CCOCCN(CC(=O)O)c1ccccc1N.
What is the InChIKey of 2-[2-amino-N-[2-(3-methylbutoxy)ethyl]anilino]acetic acid?
The InChIKey is LCXWJNRLYVDWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-12(2)7-9-20-10-8-17(11-15(18)19)14-6-4-3-5-13(14)16/h3-6,12H,7-11,16H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-amino-N-[2-(3-methylbutoxy)ethyl]anilino]acetic acid?
2-[2-amino-N-[2-(3-methylbutoxy)ethyl]anilino]acetic acid has a molecular weight of 280.37 g/mol, XLogP of 2.22, 9 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-(3-methylbutoxy)ethyl]anilino]acetic acid is sourced from PubChem (CID 63118737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).