2-[(2-ethylphenyl)methyl-propylamino]acetic acid

C14H21NO2 — CID 65064687

IUPAC2-[(2-ethylphenyl)methyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)Cc1ccccc1CC
InChIInChI=1S/C14H21NO2/c1-3-9-15(11-14(16)17)10-13-8-6-5-7-12(13)4-2/h5-8H,3-4,9-11H2,1-2H3,(H,16,17)
InChIKeyBMJMYVFUGITYNR-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.55
Rot. Bonds7

About 2-[(2-ethylphenyl)methyl-propylamino]acetic acid

2-[(2-ethylphenyl)methyl-propylamino]acetic acid (PubChem CID 65064687) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[(2-ethylphenyl)methyl-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-ethylphenyl)methyl-propylamino]acetic acid
PubChem CID65064687
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[(2-ethylphenyl)methyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)Cc1ccccc1CC
InChIInChI=1S/C14H21NO2/c1-3-9-15(11-14(16)17)10-13-8-6-5-7-12(13)4-2/h5-8H,3-4,9-11H2,1-2H3,(H,16,17)
InChIKeyBMJMYVFUGITYNR-UHFFFAOYSA-N
XLogP2.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2-ethylphenyl)methyl-propylamino]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-[2-[(dibutylamino)methyl]phenyl]acetic acid
CID 115462548
2-[2-methoxyethyl-[(2-prop-2-enylphenyl)methyl]amino]acetic acid
CID 167917208
2-[2-(2-nitrophenyl)ethyl-propylamino]acetic acid
CID 55218342
2-[(2-bromo-5-hydroxyphenyl)methyl-propylamino]acetic acid
CID 122040276
2-[(2-hydroxyphenyl)methyl-[2-[(2-hydroxyphenyl)methyl-(2-oxo-2-propoxyethyl)amino]ethyl]amino]acetic acid
CID 67702803
2-[2-phenylsulfanylethyl(propyl)amino]acetic acid
CID 79227310
carbonic acid;1,2-diethylbenzene
CID 89388803
2-[[3-[[bis(carboxymethyl)amino]methyl]-2-hydroxyphenyl]methyl-(carboxymethyl)amino]acetic acid
CID 5242005
2-[(2-hydroxynaphthalen-1-yl)methyl-propylamino]acetic acid
CID 65065277
3-[(2-cyanophenyl)methyl-propylamino]propanoic acid
CID 82327915
2-[propyl-[(3-propylphenyl)methyl]amino]acetic acid
CID 122040180
2-[(2,5-dichlorothiophen-3-yl)methyl-propylamino]acetic acid
CID 122039983

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylphenyl)methyl-propylamino]acetic acid?
The IUPAC name of 2-[(2-ethylphenyl)methyl-propylamino]acetic acid (CID 65064687) is 2-[(2-ethylphenyl)methyl-propylamino]acetic acid.
What is the SMILES notation for 2-[(2-ethylphenyl)methyl-propylamino]acetic acid?
The canonical SMILES for 2-[(2-ethylphenyl)methyl-propylamino]acetic acid is CCCN(CC(=O)O)Cc1ccccc1CC.
What is the InChIKey of 2-[(2-ethylphenyl)methyl-propylamino]acetic acid?
The InChIKey is BMJMYVFUGITYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-9-15(11-14(16)17)10-13-8-6-5-7-12(13)4-2/h5-8H,3-4,9-11H2,1-2H3,(H,16,17).
What are the key properties of 2-[(2-ethylphenyl)methyl-propylamino]acetic acid?
2-[(2-ethylphenyl)methyl-propylamino]acetic acid has a molecular weight of 235.33 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylphenyl)methyl-propylamino]acetic acid is sourced from PubChem (CID 65064687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).