cyclooctyl (2R)-2-(cyclohexanecarbonylamino)propanoate

C18H31NO3 — CID 171358005

IUPACcyclooctyl (2R)-2-(cyclohexanecarbonylamino)propanoate
SMILESC[C@@H](NC(=O)C1CCCCC1)C(=O)OC1CCCCCCC1
InChIInChI=1S/C18H31NO3/c1-14(19-17(20)15-10-6-5-7-11-15)18(21)22-16-12-8-3-2-4-9-13-16/h14-16H,2-13H2,1H3,(H,19,20)/t14-/m1/s1
InChIKeyKOINDXUXDMKLOG-CQSZACIVSA-N
MW309.45 g/mol
LogP3.73
Rot. Bonds4

About cyclooctyl (2R)-2-(cyclohexanecarbonylamino)propanoate

cyclooctyl (2R)-2-(cyclohexanecarbonylamino)propanoate (PubChem CID 171358005) has the molecular formula C18H31NO3 and a molecular weight of 309.45 g/mol. Its IUPAC name is cyclooctyl (2R)-2-(cyclohexanecarbonylamino)propanoate.

Molecular Properties

Compound Namecyclooctyl (2R)-2-(cyclohexanecarbonylamino)propanoate
PubChem CID171358005
Molecular FormulaC18H31NO3
Molecular Weight309.45 g/mol
Exact Mass309.23
IUPAC Namecyclooctyl (2R)-2-(cyclohexanecarbonylamino)propanoate
SMILESC[C@@H](NC(=O)C1CCCCC1)C(=O)OC1CCCCCCC1
InChIInChI=1S/C18H31NO3/c1-14(19-17(20)15-10-6-5-7-11-15)18(21)22-16-12-8-3-2-4-9-13-16/h14-16H,2-13H2,1H3,(H,19,20)/t14-/m1/s1
InChIKeyKOINDXUXDMKLOG-CQSZACIVSA-N
XLogP3.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cyclooctyl (2R)-2-(cyclohexanecarbonylamino)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclooctyl (2R)-2-(cyclohexanecarbonylamino)propanoate?
The IUPAC name of cyclooctyl (2R)-2-(cyclohexanecarbonylamino)propanoate (CID 171358005) is cyclooctyl (2R)-2-(cyclohexanecarbonylamino)propanoate.
What is the SMILES notation for cyclooctyl (2R)-2-(cyclohexanecarbonylamino)propanoate?
The canonical SMILES for cyclooctyl (2R)-2-(cyclohexanecarbonylamino)propanoate is C[C@@H](NC(=O)C1CCCCC1)C(=O)OC1CCCCCCC1.
What is the InChIKey of cyclooctyl (2R)-2-(cyclohexanecarbonylamino)propanoate?
The InChIKey is KOINDXUXDMKLOG-CQSZACIVSA-N. The full InChI is InChI=1S/C18H31NO3/c1-14(19-17(20)15-10-6-5-7-11-15)18(21)22-16-12-8-3-2-4-9-13-16/h14-16H,2-13H2,1H3,(H,19,20)/t14-/m1/s1.
What are the key properties of cyclooctyl (2R)-2-(cyclohexanecarbonylamino)propanoate?
cyclooctyl (2R)-2-(cyclohexanecarbonylamino)propanoate has a molecular weight of 309.45 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl (2R)-2-(cyclohexanecarbonylamino)propanoate is sourced from PubChem (CID 171358005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).