2-[benzyl-[(2-methoxyphenyl)methyl]amino]acetic acid

C17H19NO3 — CID 39385257

IUPAC2-[benzyl-[(2-methoxyphenyl)methyl]amino]acetic acid
SMILESCOc1ccccc1CN(CC(=O)O)Cc1ccccc1
InChIInChI=1S/C17H19NO3/c1-21-16-10-6-5-9-15(16)12-18(13-17(19)20)11-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,19,20)
InChIKeyDQCMCOLVQNYGFI-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.78
Rot. Bonds7

About 2-[benzyl-[(2-methoxyphenyl)methyl]amino]acetic acid

2-[benzyl-[(2-methoxyphenyl)methyl]amino]acetic acid (PubChem CID 39385257) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[benzyl-[(2-methoxyphenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[benzyl-[(2-methoxyphenyl)methyl]amino]acetic acid
PubChem CID39385257
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-[benzyl-[(2-methoxyphenyl)methyl]amino]acetic acid
SMILESCOc1ccccc1CN(CC(=O)O)Cc1ccccc1
InChIInChI=1S/C17H19NO3/c1-21-16-10-6-5-9-15(16)12-18(13-17(19)20)11-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,19,20)
InChIKeyDQCMCOLVQNYGFI-UHFFFAOYSA-N
XLogP2.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[benzyl-[(2-methoxyphenyl)methyl]amino]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-methoxyphenyl)methyl-prop-2-ynylamino]acetic acid
CID 79274704
1-[benzyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol
CID 24714118
2-[(2-anilino-2-oxoethyl)-[(2-methoxyphenyl)methyl]amino]-N-phenylacetamide
CID 4260439
2-[acetyl-[(2-methoxyphenyl)methyl]amino]acetic acid
CID 82044282
(E)-N-benzyl-N-[(2-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine
CID 122225733
2-[benzyl-[2-[carboxymethyl-[[2-(2,2,2-trifluoroacetyl)oxyphenyl]methyl]amino]ethyl]amino]acetic acid
CID 121305562
3-[(2-methoxyphenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62232246
2-[butan-2-yl-[(2-methoxyphenyl)methyl]amino]acetic acid
CID 60833584
2-[carboxymethyl-[[2-(difluoromethoxy)phenyl]methyl]amino]acetic acid
CID 63644790
2-[(2-methoxyphenyl)methyl-(2-phenylethyl)amino]ethanol
CID 110932203
2-[(2-ethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 39366056
3-[[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]propanoic acid
CID 119911597

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[(2-methoxyphenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[benzyl-[(2-methoxyphenyl)methyl]amino]acetic acid (CID 39385257) is 2-[benzyl-[(2-methoxyphenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[benzyl-[(2-methoxyphenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[benzyl-[(2-methoxyphenyl)methyl]amino]acetic acid is COc1ccccc1CN(CC(=O)O)Cc1ccccc1.
What is the InChIKey of 2-[benzyl-[(2-methoxyphenyl)methyl]amino]acetic acid?
The InChIKey is DQCMCOLVQNYGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-21-16-10-6-5-9-15(16)12-18(13-17(19)20)11-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,19,20).
What are the key properties of 2-[benzyl-[(2-methoxyphenyl)methyl]amino]acetic acid?
2-[benzyl-[(2-methoxyphenyl)methyl]amino]acetic acid has a molecular weight of 285.34 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[(2-methoxyphenyl)methyl]amino]acetic acid is sourced from PubChem (CID 39385257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).