carboxy 6-amino-6-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]hexanoate

C18H26N2O6 — CID 130404199

IUPACcarboxy 6-amino-6-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]hexanoate
SMILESNC(CCCCC(=O)OC(=O)O)C1CCC(CN2C(=O)C=CC2=O)CC1
InChIInChI=1S/C18H26N2O6/c19-14(3-1-2-4-17(23)26-18(24)25)13-7-5-12(6-8-13)11-20-15(21)9-10-16(20)22/h9-10,12-14H,1-8,11,19H2,(H,24,25)
InChIKeyUQYPQYXQTHBNSJ-UHFFFAOYSA-N
MW366.41 g/mol
LogP1.83
Rot. Bonds8

About carboxy 6-amino-6-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]hexanoate

carboxy 6-amino-6-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]hexanoate (PubChem CID 130404199) has the molecular formula C18H26N2O6 and a molecular weight of 366.41 g/mol. Its IUPAC name is carboxy 6-amino-6-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]hexanoate.

Molecular Properties

Compound Namecarboxy 6-amino-6-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]hexanoate
PubChem CID130404199
Molecular FormulaC18H26N2O6
Molecular Weight366.41 g/mol
Exact Mass366.18
IUPAC Namecarboxy 6-amino-6-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]hexanoate
SMILESNC(CCCCC(=O)OC(=O)O)C1CCC(CN2C(=O)C=CC2=O)CC1
InChIInChI=1S/C18H26N2O6/c19-14(3-1-2-4-17(23)26-18(24)25)13-7-5-12(6-8-13)11-20-15(21)9-10-16(20)22/h9-10,12-14H,1-8,11,19H2,(H,24,25)
InChIKeyUQYPQYXQTHBNSJ-UHFFFAOYSA-N
XLogP1.83
TPSA127.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze carboxy 6-amino-6-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]hexanoate with MolForge

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Related Compounds

Carboxy 6-amino-2-[1-(2,5-dioxopyrrolidin-1-yl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]hexanoate
CID 22146486
6-(4-((2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl)cyclohexane-1-carboxamido)hexanoic acid
CID 22402159
6-[[2-Cyclohexyl-2-(2,5-dioxopyrrol-1-yl)acetyl]amino]hexanoic acid
CID 57241054
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-(4-Aminobutyl)-2-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]propanedioic acid
CID 68764613
Carboxy 6-aminohexanoate;1-[[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]methyl]pyrrole-2,5-dione
CID 87060961
Carboxy 6-amino-2-[4-(2,5-dioxopyrrolidin-1-yl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]hexanoate
CID 87148390
Carboxy 6-aminodecanoate;1-[[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]methyl]pyrrole-2,5-dione
CID 87167982
Carboxy 6-amino-6-[1-(2,5-dioxopyrrolidin-1-yl)-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]hexanoate
CID 87187866
Carboxy 6-aminohexanoate;1-(cyclohexylmethyl)pyrrole-2,5-dione
CID 87288686
Carboxy 6-amino-2-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]hexanoate
CID 117973399

Frequently Asked Questions

What is the IUPAC name of carboxy 6-amino-6-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]hexanoate?
The IUPAC name of carboxy 6-amino-6-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]hexanoate (CID 130404199) is carboxy 6-amino-6-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]hexanoate.
What is the SMILES notation for carboxy 6-amino-6-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]hexanoate?
The canonical SMILES for carboxy 6-amino-6-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]hexanoate is NC(CCCCC(=O)OC(=O)O)C1CCC(CN2C(=O)C=CC2=O)CC1.
What is the InChIKey of carboxy 6-amino-6-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]hexanoate?
The InChIKey is UQYPQYXQTHBNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O6/c19-14(3-1-2-4-17(23)26-18(24)25)13-7-5-12(6-8-13)11-20-15(21)9-10-16(20)22/h9-10,12-14H,1-8,11,19H2,(H,24,25).
What are the key properties of carboxy 6-amino-6-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]hexanoate?
carboxy 6-amino-6-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]hexanoate has a molecular weight of 366.41 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carboxy 6-amino-6-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]hexanoate is sourced from PubChem (CID 130404199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).