6-[[2-cyclohexyl-2-(2,5-dioxopyrrol-1-yl)acetyl]amino]hexanoic acid

C18H26N2O5 — CID 57241054

IUPAC6-[[2-cyclohexyl-2-(2,5-dioxopyrrol-1-yl)acetyl]amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)C(C1CCCCC1)N1C(=O)C=CC1=O
InChIInChI=1S/C18H26N2O5/c21-14-10-11-15(22)20(14)17(13-7-3-1-4-8-13)18(25)19-12-6-2-5-9-16(23)24/h10-11,13,17H,1-9,12H2,(H,19,25)(H,23,24)
InChIKeyFKXOARJMAQGLBA-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.62
Rot. Bonds9

About 6-[[2-cyclohexyl-2-(2,5-dioxopyrrol-1-yl)acetyl]amino]hexanoic acid

6-[[2-cyclohexyl-2-(2,5-dioxopyrrol-1-yl)acetyl]amino]hexanoic acid (PubChem CID 57241054) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is 6-[[2-cyclohexyl-2-(2,5-dioxopyrrol-1-yl)acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[2-cyclohexyl-2-(2,5-dioxopyrrol-1-yl)acetyl]amino]hexanoic acid
PubChem CID57241054
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Name6-[[2-cyclohexyl-2-(2,5-dioxopyrrol-1-yl)acetyl]amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)C(C1CCCCC1)N1C(=O)C=CC1=O
InChIInChI=1S/C18H26N2O5/c21-14-10-11-15(22)20(14)17(13-7-3-1-4-8-13)18(25)19-12-6-2-5-9-16(23)24/h10-11,13,17H,1-9,12H2,(H,19,25)(H,23,24)
InChIKeyFKXOARJMAQGLBA-UHFFFAOYSA-N
XLogP1.62
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.62
H-Bond Donors ≤ 52
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-[[2-cyclohexyl-2-(2,5-dioxopyrrol-1-yl)acetyl]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

6-(4-((2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl)cyclohexane-1-carboxamido)hexanoic acid
CID 22402159
6-[2-(2,5-Dioxopyrrol-1-yl)propanoylamino]hexanoic acid
CID 23079593
6-[[(E)-4-[[1-[(11-amino-11-oxoundecyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobut-2-enoyl]amino]-2-methylhexanoic acid
CID 58651850
2-Ethyl-7-oxo-4-(2-oxopyrrolidin-1-yl)-7-(propan-2-ylamino)-6-(prop-2-enoylamino)heptanoic acid
CID 58731090
4-[[[4-[(2,5-Dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 59148260
4-[[6-[[4-[(2,5-Dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]hexanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 59148282
2-[2-[[2-[2-[[2-[2-[[2-[[2-[(2-Aminoacetyl)amino]acetyl]amino]acetyl]amino]propanoylamino]acetyl]amino]propanoylamino]acetyl]amino]propanoylamino]-6-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]hexanoic acid
CID 123469399
Carboxy 6-amino-6-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]hexanoate
CID 130404199
6-[[4-[(2,5-Dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 132247809
(2R)-2-amino-5-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]pentanoic acid
CID 132247813
4-[[[2-Methyl-2-(prop-2-enoylamino)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 134329088
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]propanoyl]amino]hexanoic acid
CID 134608615

Frequently Asked Questions

What is the IUPAC name of 6-[[2-cyclohexyl-2-(2,5-dioxopyrrol-1-yl)acetyl]amino]hexanoic acid?
The IUPAC name of 6-[[2-cyclohexyl-2-(2,5-dioxopyrrol-1-yl)acetyl]amino]hexanoic acid (CID 57241054) is 6-[[2-cyclohexyl-2-(2,5-dioxopyrrol-1-yl)acetyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[2-cyclohexyl-2-(2,5-dioxopyrrol-1-yl)acetyl]amino]hexanoic acid?
The canonical SMILES for 6-[[2-cyclohexyl-2-(2,5-dioxopyrrol-1-yl)acetyl]amino]hexanoic acid is O=C(O)CCCCCNC(=O)C(C1CCCCC1)N1C(=O)C=CC1=O.
What is the InChIKey of 6-[[2-cyclohexyl-2-(2,5-dioxopyrrol-1-yl)acetyl]amino]hexanoic acid?
The InChIKey is FKXOARJMAQGLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c21-14-10-11-15(22)20(14)17(13-7-3-1-4-8-13)18(25)19-12-6-2-5-9-16(23)24/h10-11,13,17H,1-9,12H2,(H,19,25)(H,23,24).
What are the key properties of 6-[[2-cyclohexyl-2-(2,5-dioxopyrrol-1-yl)acetyl]amino]hexanoic acid?
6-[[2-cyclohexyl-2-(2,5-dioxopyrrol-1-yl)acetyl]amino]hexanoic acid has a molecular weight of 350.42 g/mol, XLogP of 1.62, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-cyclohexyl-2-(2,5-dioxopyrrol-1-yl)acetyl]amino]hexanoic acid is sourced from PubChem (CID 57241054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).