2-[2-phenylethyl-(2-phenylmethoxyacetyl)amino]acetic acid

C19H21NO4 — CID 119347329

IUPAC2-[2-phenylethyl-(2-phenylmethoxyacetyl)amino]acetic acid
SMILESO=C(O)CN(CCc1ccccc1)C(=O)COCc1ccccc1
InChIInChI=1S/C19H21NO4/c21-18(15-24-14-17-9-5-2-6-10-17)20(13-19(22)23)12-11-16-7-3-1-4-8-16/h1-10H,11-15H2,(H,22,23)
InChIKeyNYSNGVQXOSDWOH-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.36
Rot. Bonds9

About 2-[2-phenylethyl-(2-phenylmethoxyacetyl)amino]acetic acid

2-[2-phenylethyl-(2-phenylmethoxyacetyl)amino]acetic acid (PubChem CID 119347329) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[2-phenylethyl-(2-phenylmethoxyacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-phenylethyl-(2-phenylmethoxyacetyl)amino]acetic acid
PubChem CID119347329
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name2-[2-phenylethyl-(2-phenylmethoxyacetyl)amino]acetic acid
SMILESO=C(O)CN(CCc1ccccc1)C(=O)COCc1ccccc1
InChIInChI=1S/C19H21NO4/c21-18(15-24-14-17-9-5-2-6-10-17)20(13-19(22)23)12-11-16-7-3-1-4-8-16/h1-10H,11-15H2,(H,22,23)
InChIKeyNYSNGVQXOSDWOH-UHFFFAOYSA-N
XLogP2.36
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-phenylethyl(3-phenylmethoxypropanoyl)amino]acetic acid
CID 119347399
2-[[2-(cyclopropylmethoxy)acetyl]-(2-phenylethyl)amino]acetic acid
CID 119347195
2-[cyclopropylmethyl-(2-phenylmethoxyacetyl)amino]acetic acid
CID 43655474
2-[benzyl-[2-(2-phenylethoxy)acetyl]amino]acetic acid
CID 119196933
N-(furan-2-ylmethyl)-N-(2-phenylethyl)-2-[(2-phenylmethoxyacetyl)-propylamino]acetamide
CID 3581106
N-(2-aminoethyl)-2-ethoxy-N-(2-phenylethyl)acetamide;hydrochloride
CID 120886517
2-[2-phenylethyl(4-pyridin-4-ylbutanoyl)amino]acetic acid
CID 20689270
sodium;hydride;2-phenylmethoxyacetic acid
CID 174345523
2-[2-phenylethyl-(2-pyrazol-1-ylacetyl)amino]acetic acid
CID 119347306
2-[carboxymethyl-(2-phenoxyacetyl)amino]acetic acid
CID 63651467
N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-N-(2-phenylethyl)-2-phenylmethoxyacetamide
CID 83283230
2-[[2-(2-methoxy-5-methylphenyl)acetyl]-(2-phenylethyl)amino]acetic acid
CID 119347663

Frequently Asked Questions

What is the IUPAC name of 2-[2-phenylethyl-(2-phenylmethoxyacetyl)amino]acetic acid?
The IUPAC name of 2-[2-phenylethyl-(2-phenylmethoxyacetyl)amino]acetic acid (CID 119347329) is 2-[2-phenylethyl-(2-phenylmethoxyacetyl)amino]acetic acid.
What is the SMILES notation for 2-[2-phenylethyl-(2-phenylmethoxyacetyl)amino]acetic acid?
The canonical SMILES for 2-[2-phenylethyl-(2-phenylmethoxyacetyl)amino]acetic acid is O=C(O)CN(CCc1ccccc1)C(=O)COCc1ccccc1.
What is the InChIKey of 2-[2-phenylethyl-(2-phenylmethoxyacetyl)amino]acetic acid?
The InChIKey is NYSNGVQXOSDWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c21-18(15-24-14-17-9-5-2-6-10-17)20(13-19(22)23)12-11-16-7-3-1-4-8-16/h1-10H,11-15H2,(H,22,23).
What are the key properties of 2-[2-phenylethyl-(2-phenylmethoxyacetyl)amino]acetic acid?
2-[2-phenylethyl-(2-phenylmethoxyacetyl)amino]acetic acid has a molecular weight of 327.38 g/mol, XLogP of 2.36, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-phenylethyl-(2-phenylmethoxyacetyl)amino]acetic acid is sourced from PubChem (CID 119347329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).