(1S,6R)-6-[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

C15H25NO5 — CID 104962315

IUPAC(1S,6R)-6-[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
SMILESCOCCN(C(=O)[C@@H]1CC=CC[C@@H]1C(=O)O)C(C)COC
InChIInChI=1S/C15H25NO5/c1-11(10-21-3)16(8-9-20-2)14(17)12-6-4-5-7-13(12)15(18)19/h4-5,11-13H,6-10H2,1-3H3,(H,18,19)/t11?,12-,13+/m1/s1
InChIKeyUWZWDNVCCFPVMW-HDYSRYHKSA-N
MW299.37 g/mol
LogP1.16
Rot. Bonds8

About (1S,6R)-6-[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

(1S,6R)-6-[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid (PubChem CID 104962315) has the molecular formula C15H25NO5 and a molecular weight of 299.37 g/mol. Its IUPAC name is (1S,6R)-6-[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name(1S,6R)-6-[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
PubChem CID104962315
Molecular FormulaC15H25NO5
Molecular Weight299.37 g/mol
Exact Mass299.17
IUPAC Name(1S,6R)-6-[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
SMILESCOCCN(C(=O)[C@@H]1CC=CC[C@@H]1C(=O)O)C(C)COC
InChIInChI=1S/C15H25NO5/c1-11(10-21-3)16(8-9-20-2)14(17)12-6-4-5-7-13(12)15(18)19/h4-5,11-13H,6-10H2,1-3H3,(H,18,19)/t11?,12-,13+/m1/s1
InChIKeyUWZWDNVCCFPVMW-HDYSRYHKSA-N
XLogP1.16
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1S,6R)-6-[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid 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 (1S,6R)-6-[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of (1S,6R)-6-[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid (CID 104962315) is (1S,6R)-6-[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for (1S,6R)-6-[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for (1S,6R)-6-[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid is COCCN(C(=O)[C@@H]1CC=CC[C@@H]1C(=O)O)C(C)COC.
What is the InChIKey of (1S,6R)-6-[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The InChIKey is UWZWDNVCCFPVMW-HDYSRYHKSA-N. The full InChI is InChI=1S/C15H25NO5/c1-11(10-21-3)16(8-9-20-2)14(17)12-6-4-5-7-13(12)15(18)19/h4-5,11-13H,6-10H2,1-3H3,(H,18,19)/t11?,12-,13+/m1/s1.
What are the key properties of (1S,6R)-6-[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
(1S,6R)-6-[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 1.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-6-[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 104962315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).