ethyl (3S,4R,5R)-5-(cyclohexylcarbamoyl)-4-methyl-2-oxo-3-pentyloxolane-3-carboxylate

C20H33NO5 — CID 7315630

IUPACethyl (3S,4R,5R)-5-(cyclohexylcarbamoyl)-4-methyl-2-oxo-3-pentyloxolane-3-carboxylate
SMILESCCCCC[C@]1(C(=O)OCC)C(=O)O[C@@H](C(=O)NC2CCCCC2)[C@@H]1C
InChIInChI=1S/C20H33NO5/c1-4-6-10-13-20(18(23)25-5-2)14(3)16(26-19(20)24)17(22)21-15-11-8-7-9-12-15/h14-16H,4-13H2,1-3H3,(H,21,22)/t14-,16+,20-/m0/s1
InChIKeyUXRPUZRQDCRKMP-NBQZKYEYSA-N
MW367.49 g/mol
LogP3.13
Rot. Bonds8

About ethyl (3S,4R,5R)-5-(cyclohexylcarbamoyl)-4-methyl-2-oxo-3-pentyloxolane-3-carboxylate

ethyl (3S,4R,5R)-5-(cyclohexylcarbamoyl)-4-methyl-2-oxo-3-pentyloxolane-3-carboxylate (PubChem CID 7315630) has the molecular formula C20H33NO5 and a molecular weight of 367.49 g/mol. Its IUPAC name is ethyl (3S,4R,5R)-5-(cyclohexylcarbamoyl)-4-methyl-2-oxo-3-pentyloxolane-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S,4R,5R)-5-(cyclohexylcarbamoyl)-4-methyl-2-oxo-3-pentyloxolane-3-carboxylate
PubChem CID7315630
Molecular FormulaC20H33NO5
Molecular Weight367.49 g/mol
Exact Mass367.24
IUPAC Nameethyl (3S,4R,5R)-5-(cyclohexylcarbamoyl)-4-methyl-2-oxo-3-pentyloxolane-3-carboxylate
SMILESCCCCC[C@]1(C(=O)OCC)C(=O)O[C@@H](C(=O)NC2CCCCC2)[C@@H]1C
InChIInChI=1S/C20H33NO5/c1-4-6-10-13-20(18(23)25-5-2)14(3)16(26-19(20)24)17(22)21-15-11-8-7-9-12-15/h14-16H,4-13H2,1-3H3,(H,21,22)/t14-,16+,20-/m0/s1
InChIKeyUXRPUZRQDCRKMP-NBQZKYEYSA-N
XLogP3.13
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze ethyl (3S,4R,5R)-5-(cyclohexylcarbamoyl)-4-methyl-2-oxo-3-pentyloxolane-3-carboxylate 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

ethyl (3R,4R,5S)-5-(cyclohexylcarbamoyl)-3-ethyl-4-methyl-2-oxooxolane-3-carboxylate
CID 6542913
ethyl 2-(cyclohexylcarbamoyl)cyclopropane-1-carboxylate
CID 102105181
octadecyl N-cyclohexylcarbamate
CID 70449091
octyl N-cyclohexylcarbamate
CID 141434119
N-cyclohexyl-1-hexylcyclobutane-1-carboxamide
CID 57011440
ethyl 2-(cyclohexylamino)nonanoate
CID 63524115
N-cyclohexyl-5-heptyl-2-oxooxolane-3-carboxamide
CID 135072463
ethyl 2-(cyclohexylcarbamoylamino)propanoate
CID 54959999
ethyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]propanoate
CID 61498920
(4S,5S)-4-N,5-N-dicyclohexyl-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide
CID 981369
(2S)-2-amino-N-cycloheptylhexanamide
CID 103830902
ethyl 2-[[amino-(cyclohexylamino)methylidene]amino]acetate
CID 62361877

Frequently Asked Questions

What is the IUPAC name of ethyl (3S,4R,5R)-5-(cyclohexylcarbamoyl)-4-methyl-2-oxo-3-pentyloxolane-3-carboxylate?
The IUPAC name of ethyl (3S,4R,5R)-5-(cyclohexylcarbamoyl)-4-methyl-2-oxo-3-pentyloxolane-3-carboxylate (CID 7315630) is ethyl (3S,4R,5R)-5-(cyclohexylcarbamoyl)-4-methyl-2-oxo-3-pentyloxolane-3-carboxylate.
What is the SMILES notation for ethyl (3S,4R,5R)-5-(cyclohexylcarbamoyl)-4-methyl-2-oxo-3-pentyloxolane-3-carboxylate?
The canonical SMILES for ethyl (3S,4R,5R)-5-(cyclohexylcarbamoyl)-4-methyl-2-oxo-3-pentyloxolane-3-carboxylate is CCCCC[C@]1(C(=O)OCC)C(=O)O[C@@H](C(=O)NC2CCCCC2)[C@@H]1C.
What is the InChIKey of ethyl (3S,4R,5R)-5-(cyclohexylcarbamoyl)-4-methyl-2-oxo-3-pentyloxolane-3-carboxylate?
The InChIKey is UXRPUZRQDCRKMP-NBQZKYEYSA-N. The full InChI is InChI=1S/C20H33NO5/c1-4-6-10-13-20(18(23)25-5-2)14(3)16(26-19(20)24)17(22)21-15-11-8-7-9-12-15/h14-16H,4-13H2,1-3H3,(H,21,22)/t14-,16+,20-/m0/s1.
What are the key properties of ethyl (3S,4R,5R)-5-(cyclohexylcarbamoyl)-4-methyl-2-oxo-3-pentyloxolane-3-carboxylate?
ethyl (3S,4R,5R)-5-(cyclohexylcarbamoyl)-4-methyl-2-oxo-3-pentyloxolane-3-carboxylate has a molecular weight of 367.49 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S,4R,5R)-5-(cyclohexylcarbamoyl)-4-methyl-2-oxo-3-pentyloxolane-3-carboxylate is sourced from PubChem (CID 7315630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).