2-[carboxymethyl-[2-oxo-2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)anilino]ethyl]amino]acetic acid

C50H38N6O5 — CID 136805905

IUPAC2-[carboxymethyl-[2-oxo-2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)anilino]ethyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)CC(=O)Nc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C50H38N6O5/c57-44(28-56(29-45(58)59)30-46(60)61)51-35-18-16-34(17-19-35)50-42-26-24-40(54-42)48(32-12-6-2-7-13-32)38-22-20-36(52-38)47(31-10-4-1-5-11-31)37-21-23-39(53-37)49(33-14-8-3-9-15-33)41-25-27-43(50)55-41/h1-27,52,55H,28-30H2,(H,51,57)(H,58,59)(H,60,61)/b47-36-,47-37-,48-38-,48-40-,49-39-,49-41-,50-42-,50-43-
InChIKeyYJFNFLGZONIDST-GSUDABABSA-N
MW802.89 g/mol
LogP9.73
Rot. Bonds11

About 2-[carboxymethyl-[2-oxo-2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)anilino]ethyl]amino]acetic acid

2-[carboxymethyl-[2-oxo-2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)anilino]ethyl]amino]acetic acid (PubChem CID 136805905) has the molecular formula C50H38N6O5 and a molecular weight of 802.89 g/mol. Its IUPAC name is 2-[carboxymethyl-[2-oxo-2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)anilino]ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[2-oxo-2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)anilino]ethyl]amino]acetic acid
PubChem CID136805905
Molecular FormulaC50H38N6O5
Molecular Weight802.89 g/mol
Exact Mass802.29
IUPAC Name2-[carboxymethyl-[2-oxo-2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)anilino]ethyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)CC(=O)Nc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C50H38N6O5/c57-44(28-56(29-45(58)59)30-46(60)61)51-35-18-16-34(17-19-35)50-42-26-24-40(54-42)48(32-12-6-2-7-13-32)38-22-20-36(52-38)47(31-10-4-1-5-11-31)37-21-23-39(53-37)49(33-14-8-3-9-15-33)41-25-27-43(50)55-41/h1-27,52,55H,28-30H2,(H,51,57)(H,58,59)(H,60,61)/b47-36-,47-37-,48-38-,48-40-,49-39-,49-41-,50-42-,50-43-
InChIKeyYJFNFLGZONIDST-GSUDABABSA-N
XLogP9.73
TPSA164.30 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.89
LogP ≤ 59.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 2-[carboxymethyl-[2-oxo-2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)anilino]ethyl]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

ethyl 2-[(2-ethoxy-2-oxoethyl)-[2-oxo-2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)anilino]ethyl]amino]acetate
CID 136805897
2-amino-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]acetamide
CID 136884117
4-oxo-4-[4-[10,15,20-tris[4-(3-carboxypropanoylamino)phenyl]-21,23-dihydroporphyrin-5-yl]anilino]butanoic acid
CID 102386285
4-chloro-N-[4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)phenyl]butanamide
CID 10887120
2-[carboxymethyl-[2-hydroxy-2-[2-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]iminoethyl]amino]acetic acid
CID 136805901
8-amino-N-[4-[10,15,20-tris[4-(8-aminooctanoylamino)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]octanamide
CID 135542396
N-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]dodecanamide
CID 135978112
4-(5,15-diphenyl-22,23-dihydro-21H-corrin-10-yl)benzoic acid
CID 136902021
4-(2-pyridin-2-yl-4-pyridinyl)-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]butanamide
CID 177401230
N-methyl-4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzamide
CID 136642660
4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)-N-[6-[[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoyl]amino]-2-pyridinyl]benzamide
CID 101434636
CID 175208777
CID 175208777

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[2-oxo-2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)anilino]ethyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[2-oxo-2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)anilino]ethyl]amino]acetic acid (CID 136805905) is 2-[carboxymethyl-[2-oxo-2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)anilino]ethyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[2-oxo-2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)anilino]ethyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[2-oxo-2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)anilino]ethyl]amino]acetic acid is O=C(O)CN(CC(=O)O)CC(=O)Nc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1.
What is the InChIKey of 2-[carboxymethyl-[2-oxo-2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)anilino]ethyl]amino]acetic acid?
The InChIKey is YJFNFLGZONIDST-GSUDABABSA-N. The full InChI is InChI=1S/C50H38N6O5/c57-44(28-56(29-45(58)59)30-46(60)61)51-35-18-16-34(17-19-35)50-42-26-24-40(54-42)48(32-12-6-2-7-13-32)38-22-20-36(52-38)47(31-10-4-1-5-11-31)37-21-23-39(53-37)49(33-14-8-3-9-15-33)41-25-27-43(50)55-41/h1-27,52,55H,28-30H2,(H,51,57)(H,58,59)(H,60,61)/b47-36-,47-37-,48-38-,48-40-,49-39-,49-41-,50-42-,50-43-.
What are the key properties of 2-[carboxymethyl-[2-oxo-2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)anilino]ethyl]amino]acetic acid?
2-[carboxymethyl-[2-oxo-2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)anilino]ethyl]amino]acetic acid has a molecular weight of 802.89 g/mol, XLogP of 9.73, 11 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[2-oxo-2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)anilino]ethyl]amino]acetic acid is sourced from PubChem (CID 136805905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).