carboxy 6-aminohexanoate;1-(cyclohexylmethyl)pyrrole-2,5-dione

C18H28N2O6 — CID 87288686

IUPACcarboxy 6-aminohexanoate;1-(cyclohexylmethyl)pyrrole-2,5-dione
SMILESNCCCCCC(=O)OC(=O)O.O=C1C=CC(=O)N1CC1CCCCC1
InChIInChI=1S/C11H15NO2.C7H13NO4/c13-10-6-7-11(14)12(10)8-9-4-2-1-3-5-9;8-5-3-1-2-4-6(9)12-7(10)11/h6-7,9H,1-5,8H2;1-5,8H2,(H,10,11)
InChIKeyDNSPUUNWJGBVPH-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.22
Rot. Bonds7

About carboxy 6-aminohexanoate;1-(cyclohexylmethyl)pyrrole-2,5-dione

carboxy 6-aminohexanoate;1-(cyclohexylmethyl)pyrrole-2,5-dione (PubChem CID 87288686) has the molecular formula C18H28N2O6 and a molecular weight of 368.43 g/mol. Its IUPAC name is carboxy 6-aminohexanoate;1-(cyclohexylmethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Namecarboxy 6-aminohexanoate;1-(cyclohexylmethyl)pyrrole-2,5-dione
PubChem CID87288686
Molecular FormulaC18H28N2O6
Molecular Weight368.43 g/mol
Exact Mass368.19
IUPAC Namecarboxy 6-aminohexanoate;1-(cyclohexylmethyl)pyrrole-2,5-dione
SMILESNCCCCCC(=O)OC(=O)O.O=C1C=CC(=O)N1CC1CCCCC1
InChIInChI=1S/C11H15NO2.C7H13NO4/c13-10-6-7-11(14)12(10)8-9-4-2-1-3-5-9;8-5-3-1-2-4-6(9)12-7(10)11/h6-7,9H,1-5,8H2;1-5,8H2,(H,10,11)
InChIKeyDNSPUUNWJGBVPH-UHFFFAOYSA-N
XLogP2.22
TPSA127.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.22
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-aminohexanoate;1-(cyclohexylmethyl)pyrrole-2,5-dione 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
(2,5-Dioxopyrrol-1-yl) 6-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]hexanoate
CID 58592351
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
Carboxy 6-aminohexanoate;1-[[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]methyl]pyrrole-2,5-dione
CID 87060961
Carboxy 6-aminohexanoate;1-[[1-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]methyl]pyrrole-2,5-dione
CID 87667911
Carboxy 6-amino-2-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]hexanoate
CID 117973399
3-[[4-(2,5-Dioxopyrrol-1-yl)butanoylamino]methyl]-5-methylhexanoic acid
CID 122544064
Carboxy 6-amino-6-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]hexanoate
CID 130404199
4-[[6-(2,5-Dioxopyrrol-1-yl)hexanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 135339901
6-Aminohexanoyl 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate
CID 137425627
6-[[4-[[[(Z)-but-2-enoyl]-formylamino]methyl]cyclohexanecarbonyl]amino]hexanoic acid
CID 143551429

Frequently Asked Questions

What is the IUPAC name of carboxy 6-aminohexanoate;1-(cyclohexylmethyl)pyrrole-2,5-dione?
The IUPAC name of carboxy 6-aminohexanoate;1-(cyclohexylmethyl)pyrrole-2,5-dione (CID 87288686) is carboxy 6-aminohexanoate;1-(cyclohexylmethyl)pyrrole-2,5-dione.
What is the SMILES notation for carboxy 6-aminohexanoate;1-(cyclohexylmethyl)pyrrole-2,5-dione?
The canonical SMILES for carboxy 6-aminohexanoate;1-(cyclohexylmethyl)pyrrole-2,5-dione is NCCCCCC(=O)OC(=O)O.O=C1C=CC(=O)N1CC1CCCCC1.
What is the InChIKey of carboxy 6-aminohexanoate;1-(cyclohexylmethyl)pyrrole-2,5-dione?
The InChIKey is DNSPUUNWJGBVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.C7H13NO4/c13-10-6-7-11(14)12(10)8-9-4-2-1-3-5-9;8-5-3-1-2-4-6(9)12-7(10)11/h6-7,9H,1-5,8H2;1-5,8H2,(H,10,11).
What are the key properties of carboxy 6-aminohexanoate;1-(cyclohexylmethyl)pyrrole-2,5-dione?
carboxy 6-aminohexanoate;1-(cyclohexylmethyl)pyrrole-2,5-dione has a molecular weight of 368.43 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carboxy 6-aminohexanoate;1-(cyclohexylmethyl)pyrrole-2,5-dione is sourced from PubChem (CID 87288686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).