2-[2-[(2-phenoxyacetyl)amino]acetyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid

C20H20N2O5 — CID 120534066

IUPAC2-[2-[(2-phenoxyacetyl)amino]acetyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
SMILESO=C(COc1ccccc1)NCC(=O)N1Cc2ccccc2C(C(=O)O)C1
InChIInChI=1S/C20H20N2O5/c23-18(13-27-15-7-2-1-3-8-15)21-10-19(24)22-11-14-6-4-5-9-16(14)17(12-22)20(25)26/h1-9,17H,10-13H2,(H,21,23)(H,25,26)
InChIKeyHODMOGUZZJJMJC-UHFFFAOYSA-N
MW368.39 g/mol
LogP1.39
Rot. Bonds6

About 2-[2-[(2-phenoxyacetyl)amino]acetyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid

2-[2-[(2-phenoxyacetyl)amino]acetyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid (PubChem CID 120534066) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-[2-[(2-phenoxyacetyl)amino]acetyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-[(2-phenoxyacetyl)amino]acetyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
PubChem CID120534066
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name2-[2-[(2-phenoxyacetyl)amino]acetyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
SMILESO=C(COc1ccccc1)NCC(=O)N1Cc2ccccc2C(C(=O)O)C1
InChIInChI=1S/C20H20N2O5/c23-18(13-27-15-7-2-1-3-8-15)21-10-19(24)22-11-14-6-4-5-9-16(14)17(12-22)20(25)26/h1-9,17H,10-13H2,(H,21,23)(H,25,26)
InChIKeyHODMOGUZZJJMJC-UHFFFAOYSA-N
XLogP1.39
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-[(2-phenoxyacetyl)amino]acetyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic 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-methylsulfanylacetyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 65263301
2-phenoxy-1-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 37111198
N-(2-oxo-2-piperazin-1-ylethyl)-2-phenoxyacetamide
CID 28708779
2-(2-methylpropylcarbamoyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 65262767
N-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-2-phenoxyacetamide
CID 120747606
N-(2-oxo-2-piperazin-1-ylethyl)-2-phenoxyacetamide;hydrochloride
CID 119402544
2-(3,3,3-trifluoropropanoyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 65262854
methyl 1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidine-4-carboxylate
CID 51166518
N-(hydroxymethyl)-2-phenoxyacetamide
CID 12769641
(4S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 96968919
2-(2-cyclobutylacetyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 103932735
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-phenoxyacetamide
CID 7779440

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-phenoxyacetyl)amino]acetyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid?
The IUPAC name of 2-[2-[(2-phenoxyacetyl)amino]acetyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid (CID 120534066) is 2-[2-[(2-phenoxyacetyl)amino]acetyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid.
What is the SMILES notation for 2-[2-[(2-phenoxyacetyl)amino]acetyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid?
The canonical SMILES for 2-[2-[(2-phenoxyacetyl)amino]acetyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid is O=C(COc1ccccc1)NCC(=O)N1Cc2ccccc2C(C(=O)O)C1.
What is the InChIKey of 2-[2-[(2-phenoxyacetyl)amino]acetyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid?
The InChIKey is HODMOGUZZJJMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c23-18(13-27-15-7-2-1-3-8-15)21-10-19(24)22-11-14-6-4-5-9-16(14)17(12-22)20(25)26/h1-9,17H,10-13H2,(H,21,23)(H,25,26).
What are the key properties of 2-[2-[(2-phenoxyacetyl)amino]acetyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid?
2-[2-[(2-phenoxyacetyl)amino]acetyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid has a molecular weight of 368.39 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-phenoxyacetyl)amino]acetyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid is sourced from PubChem (CID 120534066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).