5-(methylcarbamoyl)-8-[(4-methylcycloheptyl)carbamoyl]cyclononane-1,4-dicarboxylic acid

C22H36N2O6 — CID 129146280

IUPAC5-(methylcarbamoyl)-8-[(4-methylcycloheptyl)carbamoyl]cyclononane-1,4-dicarboxylic acid
SMILESCNC(=O)C1CCC(C(=O)NC2CCCC(C)CC2)CC(C(=O)O)CCC1C(=O)O
InChIInChI=1S/C22H36N2O6/c1-13-4-3-5-16(9-6-13)24-19(25)14-7-10-17(20(26)23-2)18(22(29)30)11-8-15(12-14)21(27)28/h13-18H,3-12H2,1-2H3,(H,23,26)(H,24,25)(H,27,28)(H,29,30)
InChIKeyHMZOHRQKATWFIN-UHFFFAOYSA-N
MW424.54 g/mol
LogP2.42
Rot. Bonds5

About 5-(methylcarbamoyl)-8-[(4-methylcycloheptyl)carbamoyl]cyclononane-1,4-dicarboxylic acid

5-(methylcarbamoyl)-8-[(4-methylcycloheptyl)carbamoyl]cyclononane-1,4-dicarboxylic acid (PubChem CID 129146280) has the molecular formula C22H36N2O6 and a molecular weight of 424.54 g/mol. Its IUPAC name is 5-(methylcarbamoyl)-8-[(4-methylcycloheptyl)carbamoyl]cyclononane-1,4-dicarboxylic acid.

Molecular Properties

Compound Name5-(methylcarbamoyl)-8-[(4-methylcycloheptyl)carbamoyl]cyclononane-1,4-dicarboxylic acid
PubChem CID129146280
Molecular FormulaC22H36N2O6
Molecular Weight424.54 g/mol
Exact Mass424.26
IUPAC Name5-(methylcarbamoyl)-8-[(4-methylcycloheptyl)carbamoyl]cyclononane-1,4-dicarboxylic acid
SMILESCNC(=O)C1CCC(C(=O)NC2CCCC(C)CC2)CC(C(=O)O)CCC1C(=O)O
InChIInChI=1S/C22H36N2O6/c1-13-4-3-5-16(9-6-13)24-19(25)14-7-10-17(20(26)23-2)18(22(29)30)11-8-15(12-14)21(27)28/h13-18H,3-12H2,1-2H3,(H,23,26)(H,24,25)(H,27,28)(H,29,30)
InChIKeyHMZOHRQKATWFIN-UHFFFAOYSA-N
XLogP2.42
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 52.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5-(methylcarbamoyl)-8-[(4-methylcycloheptyl)carbamoyl]cyclononane-1,4-dicarboxylic 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

cis-(1S,2R)-2-[(4-methylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114091666
3-(cyclopropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549764
3-(cyclooctylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549818
2-(cyclobutylcarbamoyl)cyclobutane-1-carboxylic acid
CID 130735456
(3S)-3-(methylcarbamoyl)cyclohexane-1-carboxylic acid
CID 54034306
4-(cyclobutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784542
cis-(1R,3S)-3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120679065
cis-(1S,2R)-2-[(3-methylcyclopentyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 114093102
3-(oxan-4-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 55235400
cis-(1S,3R)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 97030816
(1S,6S)-6-[(4-methylcyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 51427698
3-[(1-methylpiperidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63783132

Frequently Asked Questions

What is the IUPAC name of 5-(methylcarbamoyl)-8-[(4-methylcycloheptyl)carbamoyl]cyclononane-1,4-dicarboxylic acid?
The IUPAC name of 5-(methylcarbamoyl)-8-[(4-methylcycloheptyl)carbamoyl]cyclononane-1,4-dicarboxylic acid (CID 129146280) is 5-(methylcarbamoyl)-8-[(4-methylcycloheptyl)carbamoyl]cyclononane-1,4-dicarboxylic acid.
What is the SMILES notation for 5-(methylcarbamoyl)-8-[(4-methylcycloheptyl)carbamoyl]cyclononane-1,4-dicarboxylic acid?
The canonical SMILES for 5-(methylcarbamoyl)-8-[(4-methylcycloheptyl)carbamoyl]cyclononane-1,4-dicarboxylic acid is CNC(=O)C1CCC(C(=O)NC2CCCC(C)CC2)CC(C(=O)O)CCC1C(=O)O.
What is the InChIKey of 5-(methylcarbamoyl)-8-[(4-methylcycloheptyl)carbamoyl]cyclononane-1,4-dicarboxylic acid?
The InChIKey is HMZOHRQKATWFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O6/c1-13-4-3-5-16(9-6-13)24-19(25)14-7-10-17(20(26)23-2)18(22(29)30)11-8-15(12-14)21(27)28/h13-18H,3-12H2,1-2H3,(H,23,26)(H,24,25)(H,27,28)(H,29,30).
What are the key properties of 5-(methylcarbamoyl)-8-[(4-methylcycloheptyl)carbamoyl]cyclononane-1,4-dicarboxylic acid?
5-(methylcarbamoyl)-8-[(4-methylcycloheptyl)carbamoyl]cyclononane-1,4-dicarboxylic acid has a molecular weight of 424.54 g/mol, XLogP of 2.42, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylcarbamoyl)-8-[(4-methylcycloheptyl)carbamoyl]cyclononane-1,4-dicarboxylic acid is sourced from PubChem (CID 129146280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).