1-[[2-oxo-1-(oxolan-2-ylmethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid

C24H34N2O5 — CID 69472197

IUPAC1-[[2-oxo-1-(oxolan-2-ylmethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCC1)c1cc2c(n(CC3CCCO3)c1=O)CCCCCC2
InChIInChI=1S/C24H34N2O5/c27-21(25-24(23(29)30)12-6-3-7-13-24)19-15-17-9-4-1-2-5-11-20(17)26(22(19)28)16-18-10-8-14-31-18/h15,18H,1-14,16H2,(H,25,27)(H,29,30)
InChIKeyCEPMZWNMDKHVSU-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.20
Rot. Bonds5

About 1-[[2-oxo-1-(oxolan-2-ylmethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid

1-[[2-oxo-1-(oxolan-2-ylmethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 69472197) has the molecular formula C24H34N2O5 and a molecular weight of 430.55 g/mol. Its IUPAC name is 1-[[2-oxo-1-(oxolan-2-ylmethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-oxo-1-(oxolan-2-ylmethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID69472197
Molecular FormulaC24H34N2O5
Molecular Weight430.55 g/mol
Exact Mass430.25
IUPAC Name1-[[2-oxo-1-(oxolan-2-ylmethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCC1)c1cc2c(n(CC3CCCO3)c1=O)CCCCCC2
InChIInChI=1S/C24H34N2O5/c27-21(25-24(23(29)30)12-6-3-7-13-24)19-15-17-9-4-1-2-5-11-20(17)26(22(19)28)16-18-10-8-14-31-18/h15,18H,1-14,16H2,(H,25,27)(H,29,30)
InChIKeyCEPMZWNMDKHVSU-UHFFFAOYSA-N
XLogP3.20
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[2-oxo-1-(oxolan-2-ylmethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

1-[[1-(Cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]cyclooctane-1-carboxylic acid
CID 70689694
1-[[1-(Cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 67520222
1-[[1-(Cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 70689695
1-[(1-Butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 70691826
1-[(1-Butyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 70696000
1-[[1-(2-Methoxyethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 70696001
1-[[1-[(1-Ethylpyrrolidin-2-yl)methyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 69474632
1-[[1-(4-Fluorobutyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 69475768
Methyl 2-methyl-2-[[2-oxo-1-(oxolan-2-ylmethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]propanoate
CID 67519742
Methyl 4-[[2-oxo-1-(oxolan-2-ylmethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylate
CID 67519769
Methyl 1-[(1-butyl-4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 67519828
Methyl 1-[(1-butyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 67519854

Frequently Asked Questions

What is the IUPAC name of 1-[[2-oxo-1-(oxolan-2-ylmethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[2-oxo-1-(oxolan-2-ylmethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 69472197) is 1-[[2-oxo-1-(oxolan-2-ylmethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-oxo-1-(oxolan-2-ylmethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[2-oxo-1-(oxolan-2-ylmethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCCC1)c1cc2c(n(CC3CCCO3)c1=O)CCCCCC2.
What is the InChIKey of 1-[[2-oxo-1-(oxolan-2-ylmethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is CEPMZWNMDKHVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O5/c27-21(25-24(23(29)30)12-6-3-7-13-24)19-15-17-9-4-1-2-5-11-20(17)26(22(19)28)16-18-10-8-14-31-18/h15,18H,1-14,16H2,(H,25,27)(H,29,30).
What are the key properties of 1-[[2-oxo-1-(oxolan-2-ylmethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
1-[[2-oxo-1-(oxolan-2-ylmethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 430.55 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-oxo-1-(oxolan-2-ylmethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 69472197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).