6-[[4-[(2,5-dioxopyrrol-3-yl)methyl]cyclohexanecarbonyl]amino]hexanoic acid

C18H26N2O5 — CID 23207511

IUPAC6-[[4-[(2,5-dioxopyrrol-3-yl)methyl]cyclohexanecarbonyl]amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)C1CCC(CC2=CC(=O)NC2=O)CC1
InChIInChI=1S/C18H26N2O5/c21-15-11-14(18(25)20-15)10-12-5-7-13(8-6-12)17(24)19-9-3-1-2-4-16(22)23/h11-13H,1-10H2,(H,19,24)(H,22,23)(H,20,21,25)
InChIKeyGAYWKDVCGKHPFV-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.53
Rot. Bonds9

About 6-[[4-[(2,5-dioxopyrrol-3-yl)methyl]cyclohexanecarbonyl]amino]hexanoic acid

6-[[4-[(2,5-dioxopyrrol-3-yl)methyl]cyclohexanecarbonyl]amino]hexanoic acid (PubChem CID 23207511) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is 6-[[4-[(2,5-dioxopyrrol-3-yl)methyl]cyclohexanecarbonyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[4-[(2,5-dioxopyrrol-3-yl)methyl]cyclohexanecarbonyl]amino]hexanoic acid
PubChem CID23207511
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Name6-[[4-[(2,5-dioxopyrrol-3-yl)methyl]cyclohexanecarbonyl]amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)C1CCC(CC2=CC(=O)NC2=O)CC1
InChIInChI=1S/C18H26N2O5/c21-15-11-14(18(25)20-15)10-12-5-7-13(8-6-12)17(24)19-9-3-1-2-4-16(22)23/h11-13H,1-10H2,(H,19,24)(H,22,23)(H,20,21,25)
InChIKeyGAYWKDVCGKHPFV-UHFFFAOYSA-N
XLogP1.53
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 6-[[4-[(2,5-dioxopyrrol-3-yl)methyl]cyclohexanecarbonyl]amino]hexanoic 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

4-[[[(E)-hex-2-enoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 21470507
6-(4-((2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl)cyclohexane-1-carboxamido)hexanoic acid
CID 22402159
4-[(Hex-2-enoylamino)methyl]cyclohexane-1-carboxylic acid
CID 54267069
4-[(2,5-Dioxopyrrol-3-yl)methyl]cyclohexane-1-carboxylic acid
CID 69505328
4-[[6-(2,5-Dioxopyrrol-1-yl)hexanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 135339901
3-(2,5-Dioxopyrrol-3-yl)cyclohexane-1-carboxylic acid
CID 140013756
7-[[(E)-3-(2,5-dimethylidenecyclohexyl)prop-2-enoyl]amino]heptanoic acid;ethane
CID 141914542
12-[[(E)-3-cyclohexylprop-2-enoyl]amino]dodecanoic acid
CID 145814219
7-[[(E)-3-cyclohexylprop-2-enoyl]amino]heptanoic acid
CID 145814230
9-[[(E)-3-cyclohexylprop-2-enoyl]amino]nonanoic acid
CID 145814278
11-[[(E)-3-cyclohexylprop-2-enoyl]amino]undecanoic acid
CID 145814300
8-[[(E)-3-cyclohexylprop-2-enoyl]amino]octanoic acid
CID 145814310

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[(2,5-dioxopyrrol-3-yl)methyl]cyclohexanecarbonyl]amino]hexanoic acid?
The IUPAC name of 6-[[4-[(2,5-dioxopyrrol-3-yl)methyl]cyclohexanecarbonyl]amino]hexanoic acid (CID 23207511) is 6-[[4-[(2,5-dioxopyrrol-3-yl)methyl]cyclohexanecarbonyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[4-[(2,5-dioxopyrrol-3-yl)methyl]cyclohexanecarbonyl]amino]hexanoic acid?
The canonical SMILES for 6-[[4-[(2,5-dioxopyrrol-3-yl)methyl]cyclohexanecarbonyl]amino]hexanoic acid is O=C(O)CCCCCNC(=O)C1CCC(CC2=CC(=O)NC2=O)CC1.
What is the InChIKey of 6-[[4-[(2,5-dioxopyrrol-3-yl)methyl]cyclohexanecarbonyl]amino]hexanoic acid?
The InChIKey is GAYWKDVCGKHPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c21-15-11-14(18(25)20-15)10-12-5-7-13(8-6-12)17(24)19-9-3-1-2-4-16(22)23/h11-13H,1-10H2,(H,19,24)(H,22,23)(H,20,21,25).
What are the key properties of 6-[[4-[(2,5-dioxopyrrol-3-yl)methyl]cyclohexanecarbonyl]amino]hexanoic acid?
6-[[4-[(2,5-dioxopyrrol-3-yl)methyl]cyclohexanecarbonyl]amino]hexanoic acid has a molecular weight of 350.42 g/mol, XLogP of 1.53, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[(2,5-dioxopyrrol-3-yl)methyl]cyclohexanecarbonyl]amino]hexanoic acid is sourced from PubChem (CID 23207511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).