methyl (2R)-1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)piperidine-2-carboxylate

C14H22N2O4 — CID 79833676

IUPACmethyl (2R)-1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)piperidine-2-carboxylate
SMILESCCN1CC(C(=O)N2CCCC[C@@H]2C(=O)OC)CC1=O
InChIInChI=1S/C14H22N2O4/c1-3-15-9-10(8-12(15)17)13(18)16-7-5-4-6-11(16)14(19)20-2/h10-11H,3-9H2,1-2H3/t10?,11-/m1/s1
InChIKeyBZMVCARHJSJEEJ-RRKGBCIJSA-N
MW282.34 g/mol
LogP0.41
Rot. Bonds3

About methyl (2R)-1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)piperidine-2-carboxylate

methyl (2R)-1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)piperidine-2-carboxylate (PubChem CID 79833676) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is methyl (2R)-1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)piperidine-2-carboxylate
PubChem CID79833676
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Namemethyl (2R)-1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)piperidine-2-carboxylate
SMILESCCN1CC(C(=O)N2CCCC[C@@H]2C(=O)OC)CC1=O
InChIInChI=1S/C14H22N2O4/c1-3-15-9-10(8-12(15)17)13(18)16-7-5-4-6-11(16)14(19)20-2/h10-11H,3-9H2,1-2H3/t10?,11-/m1/s1
InChIKeyBZMVCARHJSJEEJ-RRKGBCIJSA-N
XLogP0.41
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3S)-1-ethyl-5-oxopyrrolidine-3-carboxylate
CID 42579819
methyl (2R)-1-(cyclopentanecarbonyl)piperidine-2-carboxylate
CID 79833170
methyl (2R)-1-(cyclopropanecarbonyl)piperidine-2-carboxylate
CID 79833593
1-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid
CID 43356008
1-[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid
CID 43356011
1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidine-2-carboxylic acid
CID 119137735
methyl 1-[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 43623815
ethyl 1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)piperidine-3-carboxylate
CID 43424047
4-(2-methylpiperidine-1-carbonyl)-1-pentylpyrrolidin-2-one
CID 24720700
methyl 1-(4-hydroxycyclohexanecarbonyl)pyrrolidine-2-carboxylate
CID 112531508
methyl (2S)-1-(azetidine-3-carbonyl)pyrrolidine-2-carboxylate
CID 174918587
methyl 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-2-carboxylate
CID 79165530

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)piperidine-2-carboxylate (CID 79833676) is methyl (2R)-1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)piperidine-2-carboxylate is CCN1CC(C(=O)N2CCCC[C@@H]2C(=O)OC)CC1=O.
What is the InChIKey of methyl (2R)-1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)piperidine-2-carboxylate?
The InChIKey is BZMVCARHJSJEEJ-RRKGBCIJSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-3-15-9-10(8-12(15)17)13(18)16-7-5-4-6-11(16)14(19)20-2/h10-11H,3-9H2,1-2H3/t10?,11-/m1/s1.
What are the key properties of methyl (2R)-1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)piperidine-2-carboxylate?
methyl (2R)-1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)piperidine-2-carboxylate has a molecular weight of 282.34 g/mol, XLogP of 0.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)piperidine-2-carboxylate is sourced from PubChem (CID 79833676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).