18-(2-carboxyethyl)-20-(carboxymethyl)-12-ethenyl-7-ethyl-3,5,8,13,17-pentamethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid

C35H38N4O6 — CID 59972126

IUPAC18-(2-carboxyethyl)-20-(carboxymethyl)-12-ethenyl-7-ethyl-3,5,8,13,17-pentamethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid
SMILESC=Cc1c(C)c2cc3nc(c(CC(=O)O)c4nc(c(C)c5[nH]c(cc1[nH]2)c(C)c5CC)C(C)=C4C(=O)O)C(CCC(=O)O)C3C
InChIInChI=1S/C35H38N4O6/c1-8-20-15(3)24-13-25-17(5)22(10-11-28(40)41)33(38-25)23(12-29(42)43)34-30(35(44)45)18(6)31(39-34)19(7)32-21(9-2)16(4)26(37-32)14-27(20)36-24/h8,13-14,17,22,36-37H,1,9-12H2,2-7H3,(H,40,41)(H,42,43)(H,44,45)/b24-13-,25-13-,26-14-,27-14-,31-19-,32-19-,33-23-,34-23-
InChIKeyZALHTMZLLWDYBA-HCVUXFFJSA-N
MW610.71 g/mol
LogP6.84
Rot. Bonds8

About 18-(2-carboxyethyl)-20-(carboxymethyl)-12-ethenyl-7-ethyl-3,5,8,13,17-pentamethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid

18-(2-carboxyethyl)-20-(carboxymethyl)-12-ethenyl-7-ethyl-3,5,8,13,17-pentamethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid (PubChem CID 59972126) has the molecular formula C35H38N4O6 and a molecular weight of 610.71 g/mol. Its IUPAC name is 18-(2-carboxyethyl)-20-(carboxymethyl)-12-ethenyl-7-ethyl-3,5,8,13,17-pentamethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid.

Molecular Properties

Compound Name18-(2-carboxyethyl)-20-(carboxymethyl)-12-ethenyl-7-ethyl-3,5,8,13,17-pentamethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid
PubChem CID59972126
Molecular FormulaC35H38N4O6
Molecular Weight610.71 g/mol
Exact Mass610.28
IUPAC Name18-(2-carboxyethyl)-20-(carboxymethyl)-12-ethenyl-7-ethyl-3,5,8,13,17-pentamethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid
SMILESC=Cc1c(C)c2cc3nc(c(CC(=O)O)c4nc(c(C)c5[nH]c(cc1[nH]2)c(C)c5CC)C(C)=C4C(=O)O)C(CCC(=O)O)C3C
InChIInChI=1S/C35H38N4O6/c1-8-20-15(3)24-13-25-17(5)22(10-11-28(40)41)33(38-25)23(12-29(42)43)34-30(35(44)45)18(6)31(39-34)19(7)32-21(9-2)16(4)26(37-32)14-27(20)36-24/h8,13-14,17,22,36-37H,1,9-12H2,2-7H3,(H,40,41)(H,42,43)(H,44,45)/b24-13-,25-13-,26-14-,27-14-,31-19-,32-19-,33-23-,34-23-
InChIKeyZALHTMZLLWDYBA-HCVUXFFJSA-N
XLogP6.84
TPSA169.26 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.71
LogP ≤ 56.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 18-(2-carboxyethyl)-20-(carboxymethyl)-12-ethenyl-7-ethyl-3,5,8,13,17-pentamethyl-17,18,22,23-tetrahydroporphyrin-2-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

copper;sodium;(17S,18S)-20-(carboxymethyl)-12-ethenyl-18-(3-ethoxy-3-oxopropyl)-7-ethyl-3,8,13,17-tetramethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid
CID 52919925
2-[[2-[(2S,3S)-7-carboxy-3-(2-carboxyethyl)-17-ethenyl-12-ethyl-2,8,13,18-tetramethyl-2,3,23,24-tetrahydroporphyrin-5-yl]acetyl]amino]ethyl-trimethylazanium
CID 164708432
18-(2-carboxyethyl)-12-ethenyl-7-ethyl-3,8,13,17-tetramethyl-20-[2-oxo-2-[2-(propylamino)ethylamino]ethyl]-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid
CID 165055352
(18S)-18-(2-carboxyethyl)-12-ethenyl-7-ethyl-20-[2-[2-methoxyethyl(methyl)amino]-2-oxoethyl]-3,8,13,17-tetramethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid
CID 171648581
(17S,18S)-18-(2-carboxyethyl)-20-(carboxymethyl)-12-(1-ethoxyethyl)-7-ethyl-3,8,13,17-tetramethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid
CID 10219242
(2S)-2-[2-[(2S,3S)-7-carboxy-3-(2-carboxyethyl)-17-ethenyl-12-ethyl-2,8,13,18-tetramethyl-2,3,23,24-tetrahydroporphyrin-5-yl]ethoxyamino]butanedioic acid;methane
CID 159032672
(17R)-17-(2-carboxyethyl)-20-(carboxymethyl)-12-ethenyl-7-ethyl-3,8,13,15-tetramethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid
CID 138756707
(17S,18S)-12-ethenyl-7-ethyl-3,8,13,17-tetramethyl-20-[2-oxo-2-[3-tris(trimethylsilyloxy)silylpropylamino]ethyl]-18-[3-oxo-3-[3-tris(trimethylsilyloxy)silylpropylamino]propyl]-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid
CID 164708413
(17S,18S)-12-ethenyl-7-ethyl-18-(3-formyloxypropyl)-20-(2-methoxy-2-oxoethyl)-3,8,13,17-tetramethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid
CID 159420376
ethane;3-[(2S,3S)-8-ethenyl-13-ethyl-3,7,12,17,20-pentamethyl-2,3,22,23-tetrahydroporphyrin-2-yl]propanoic acid
CID 168897628
potassium;sodium;(17S,18S)-18-(2-carboxyethyl)-20-(carboxymethyl)-12-ethenyl-7-ethyl-3,8,13,17-tetramethyl-17,18,21,22-tetrahydroporphyrin-2-carboxylic acid;hydride
CID 173050571
(2S)-2-[3-[(2S,3S)-20-[2-[[(1S)-1,2-dicarboxyethyl]amino]-2-oxoethyl]-8-ethenyl-13-ethyl-18-methoxycarbonyl-3,7,12,17-tetramethyl-2,3,22,23-tetrahydroporphyrin-2-yl]propanoylamino]butanedioic acid
CID 132557850

Frequently Asked Questions

What is the IUPAC name of 18-(2-carboxyethyl)-20-(carboxymethyl)-12-ethenyl-7-ethyl-3,5,8,13,17-pentamethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid?
The IUPAC name of 18-(2-carboxyethyl)-20-(carboxymethyl)-12-ethenyl-7-ethyl-3,5,8,13,17-pentamethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid (CID 59972126) is 18-(2-carboxyethyl)-20-(carboxymethyl)-12-ethenyl-7-ethyl-3,5,8,13,17-pentamethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid.
What is the SMILES notation for 18-(2-carboxyethyl)-20-(carboxymethyl)-12-ethenyl-7-ethyl-3,5,8,13,17-pentamethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid?
The canonical SMILES for 18-(2-carboxyethyl)-20-(carboxymethyl)-12-ethenyl-7-ethyl-3,5,8,13,17-pentamethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid is C=Cc1c(C)c2cc3nc(c(CC(=O)O)c4nc(c(C)c5[nH]c(cc1[nH]2)c(C)c5CC)C(C)=C4C(=O)O)C(CCC(=O)O)C3C.
What is the InChIKey of 18-(2-carboxyethyl)-20-(carboxymethyl)-12-ethenyl-7-ethyl-3,5,8,13,17-pentamethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid?
The InChIKey is ZALHTMZLLWDYBA-HCVUXFFJSA-N. The full InChI is InChI=1S/C35H38N4O6/c1-8-20-15(3)24-13-25-17(5)22(10-11-28(40)41)33(38-25)23(12-29(42)43)34-30(35(44)45)18(6)31(39-34)19(7)32-21(9-2)16(4)26(37-32)14-27(20)36-24/h8,13-14,17,22,36-37H,1,9-12H2,2-7H3,(H,40,41)(H,42,43)(H,44,45)/b24-13-,25-13-,26-14-,27-14-,31-19-,32-19-,33-23-,34-23-.
What are the key properties of 18-(2-carboxyethyl)-20-(carboxymethyl)-12-ethenyl-7-ethyl-3,5,8,13,17-pentamethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid?
18-(2-carboxyethyl)-20-(carboxymethyl)-12-ethenyl-7-ethyl-3,5,8,13,17-pentamethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid has a molecular weight of 610.71 g/mol, XLogP of 6.84, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 18-(2-carboxyethyl)-20-(carboxymethyl)-12-ethenyl-7-ethyl-3,5,8,13,17-pentamethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid is sourced from PubChem (CID 59972126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).