methyl 4-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylate

C14H20N2O5 — CID 78926608

IUPACmethyl 4-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)C2CC(=O)N(C3CC3)C2)CCO1
InChIInChI=1S/C14H20N2O5/c1-20-14(19)11-8-15(4-5-21-11)13(18)9-6-12(17)16(7-9)10-2-3-10/h9-11H,2-8H2,1H3
InChIKeyPUZGCJDPPABFGG-UHFFFAOYSA-N
MW296.32 g/mol
LogP-0.60
Rot. Bonds3

About methyl 4-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylate

methyl 4-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylate (PubChem CID 78926608) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is methyl 4-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylate
PubChem CID78926608
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Namemethyl 4-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)C2CC(=O)N(C3CC3)C2)CCO1
InChIInChI=1S/C14H20N2O5/c1-20-14(19)11-8-15(4-5-21-11)13(18)9-6-12(17)16(7-9)10-2-3-10/h9-11H,2-8H2,1H3
InChIKeyPUZGCJDPPABFGG-UHFFFAOYSA-N
XLogP-0.60
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 5-0.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-[(3S)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid
CID 125153354
1-cyclopropyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 60656167
methyl 4-(bicyclo[4.1.0]heptane-7-carbonyl)morpholine-2-carboxylate
CID 79209422
(4R)-1-cyclopropyl-4-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one
CID 95569973
2-[(2S)-4-[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid
CID 129465906
(4S)-4-(azocane-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one
CID 99805761
methyl 4-(piperidine-1-carbonyl)morpholine-2-carboxylate
CID 78927190
(3S)-1-[(3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 124682709
(4S)-1-cyclopentyl-4-(2,2-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one
CID 99591121
ethyl 4-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 90567791
methyl 4-(dimethylcarbamoyl)morpholine-2-carboxylate
CID 78927141
(4R)-1-cyclopentyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9364632

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylate?
The IUPAC name of methyl 4-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylate (CID 78926608) is methyl 4-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylate?
The canonical SMILES for methyl 4-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylate is COC(=O)C1CN(C(=O)C2CC(=O)N(C3CC3)C2)CCO1.
What is the InChIKey of methyl 4-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylate?
The InChIKey is PUZGCJDPPABFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-20-14(19)11-8-15(4-5-21-11)13(18)9-6-12(17)16(7-9)10-2-3-10/h9-11H,2-8H2,1H3.
What are the key properties of methyl 4-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylate?
methyl 4-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylate has a molecular weight of 296.32 g/mol, XLogP of -0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylate is sourced from PubChem (CID 78926608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).