methyl 3-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-3-oxopropanoate

C14H21NO4 — CID 46949921

IUPACmethyl 3-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-3-oxopropanoate
SMILESCOC(=O)CC(=O)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C14H21NO4/c1-19-14(18)8-12(16)10-7-13(17)15(9-10)11-5-3-2-4-6-11/h10-11H,2-9H2,1H3
InChIKeyRYLLRMCRYCDGEZ-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.30
Rot. Bonds4

About methyl 3-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-3-oxopropanoate

methyl 3-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-3-oxopropanoate (PubChem CID 46949921) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is methyl 3-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-3-oxopropanoate.

Molecular Properties

Compound Namemethyl 3-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-3-oxopropanoate
PubChem CID46949921
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Namemethyl 3-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-3-oxopropanoate
SMILESCOC(=O)CC(=O)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C14H21NO4/c1-19-14(18)8-12(16)10-7-13(17)15(9-10)11-5-3-2-4-6-11/h10-11H,2-9H2,1H3
InChIKeyRYLLRMCRYCDGEZ-UHFFFAOYSA-N
XLogP1.30
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-N-(cyclopentylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 110627517
ethyl (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 94077568
(3S)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 9364638
(3R)-1-cyclohexyl-5-oxopyrrolidine-3-carboxylate
CID 6920281
1-cyclopentyl-N-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 47021846
(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 29451208
(3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 6942092
N-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3236135
methyl 2-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]propanoate
CID 60698316
cyclobutyl (3R)-1-cycloheptyl-5-oxopyrrolidine-3-carboxylate
CID 96543978
cyclobutyl 1-cycloheptyl-5-oxopyrrolidine-3-carboxylate
CID 102559217
methyl 2-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylpentanoate
CID 86977195

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-3-oxopropanoate?
The IUPAC name of methyl 3-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-3-oxopropanoate (CID 46949921) is methyl 3-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-3-oxopropanoate.
What is the SMILES notation for methyl 3-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-3-oxopropanoate?
The canonical SMILES for methyl 3-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-3-oxopropanoate is COC(=O)CC(=O)C1CC(=O)N(C2CCCCC2)C1.
What is the InChIKey of methyl 3-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-3-oxopropanoate?
The InChIKey is RYLLRMCRYCDGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-19-14(18)8-12(16)10-7-13(17)15(9-10)11-5-3-2-4-6-11/h10-11H,2-9H2,1H3.
What are the key properties of methyl 3-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-3-oxopropanoate?
methyl 3-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-3-oxopropanoate has a molecular weight of 267.32 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-3-oxopropanoate is sourced from PubChem (CID 46949921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).