2-[2-methoxyethyl-[(2-prop-2-enylphenyl)methyl]amino]acetic acid

C15H21NO3 — CID 167917208

IUPAC2-[2-methoxyethyl-[(2-prop-2-enylphenyl)methyl]amino]acetic acid
SMILESC=CCc1ccccc1CN(CCOC)CC(=O)O
InChIInChI=1S/C15H21NO3/c1-3-6-13-7-4-5-8-14(13)11-16(9-10-19-2)12-15(17)18/h3-5,7-8H,1,6,9-12H2,2H3,(H,17,18)
InChIKeyKGBMFTSUQYDFSC-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.95
Rot. Bonds9

About 2-[2-methoxyethyl-[(2-prop-2-enylphenyl)methyl]amino]acetic acid

2-[2-methoxyethyl-[(2-prop-2-enylphenyl)methyl]amino]acetic acid (PubChem CID 167917208) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[(2-prop-2-enylphenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-[(2-prop-2-enylphenyl)methyl]amino]acetic acid
PubChem CID167917208
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[2-methoxyethyl-[(2-prop-2-enylphenyl)methyl]amino]acetic acid
SMILESC=CCc1ccccc1CN(CCOC)CC(=O)O
InChIInChI=1S/C15H21NO3/c1-3-6-13-7-4-5-8-14(13)11-16(9-10-19-2)12-15(17)18/h3-5,7-8H,1,6,9-12H2,2H3,(H,17,18)
InChIKeyKGBMFTSUQYDFSC-UHFFFAOYSA-N
XLogP1.95
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-ethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 39366056
2-[(2-ethylphenyl)methyl-propylamino]acetic acid
CID 65064687
2-[benzyl(4-methoxybutyl)amino]acetic acid
CID 119134936
N-[[2-(ethylaminomethyl)phenyl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine
CID 103340228
2-[(5-fluoro-2-hydroxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 107701809
2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 39382765
2-[2-methoxyethyl-[(4-methylphenyl)methyl]amino]acetic acid
CID 54968853
2-[bis(2-methoxyethyl)amino]-1-phenylethanone
CID 60649797
2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 39379496
2-[2-[[ethyl(2-methoxyethyl)amino]methyl]phenyl]acetohydrazide
CID 115465453
2-[(2-hydroxyphenyl)methyl-[2-[(2-hydroxyphenyl)methyl-(2-oxo-2-propoxyethyl)amino]ethyl]amino]acetic acid
CID 67702803
methyl 2-[[bis(2-methoxyethyl)amino]methyl]benzoate
CID 82969793

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-[(2-prop-2-enylphenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-[(2-prop-2-enylphenyl)methyl]amino]acetic acid (CID 167917208) is 2-[2-methoxyethyl-[(2-prop-2-enylphenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-[(2-prop-2-enylphenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-[(2-prop-2-enylphenyl)methyl]amino]acetic acid is C=CCc1ccccc1CN(CCOC)CC(=O)O.
What is the InChIKey of 2-[2-methoxyethyl-[(2-prop-2-enylphenyl)methyl]amino]acetic acid?
The InChIKey is KGBMFTSUQYDFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-6-13-7-4-5-8-14(13)11-16(9-10-19-2)12-15(17)18/h3-5,7-8H,1,6,9-12H2,2H3,(H,17,18).
What are the key properties of 2-[2-methoxyethyl-[(2-prop-2-enylphenyl)methyl]amino]acetic acid?
2-[2-methoxyethyl-[(2-prop-2-enylphenyl)methyl]amino]acetic acid has a molecular weight of 263.34 g/mol, XLogP of 1.95, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-[(2-prop-2-enylphenyl)methyl]amino]acetic acid is sourced from PubChem (CID 167917208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).