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

C13H20N2O4 — CID 81345446

IUPACethyl (3S)-1-(5-oxopyrrolidine-2-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C(=O)C2CCC(=O)N2)C1
InChIInChI=1S/C13H20N2O4/c1-2-19-13(18)9-4-3-7-15(8-9)12(17)10-5-6-11(16)14-10/h9-10H,2-8H2,1H3,(H,14,16)/t9-,10?/m0/s1
InChIKeyDRJWHZPPQDMLJA-RGURZIINSA-N
MW268.31 g/mol
LogP0.07
Rot. Bonds3

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

ethyl (3S)-1-(5-oxopyrrolidine-2-carbonyl)piperidine-3-carboxylate (PubChem CID 81345446) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is ethyl (3S)-1-(5-oxopyrrolidine-2-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-1-(5-oxopyrrolidine-2-carbonyl)piperidine-3-carboxylate
PubChem CID81345446
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Nameethyl (3S)-1-(5-oxopyrrolidine-2-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C(=O)C2CCC(=O)N2)C1
InChIInChI=1S/C13H20N2O4/c1-2-19-13(18)9-4-3-7-15(8-9)12(17)10-5-6-11(16)14-10/h9-10H,2-8H2,1H3,(H,14,16)/t9-,10?/m0/s1
InChIKeyDRJWHZPPQDMLJA-RGURZIINSA-N
XLogP0.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)piperidine-3-carboxylate
CID 43424047
ethyl (3S)-1-[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 9364684
ethyl (3S)-1-[(3R)-1-cyclohexyl-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 93018624
ethyl (3R)-1-[(3S)-1-cyclohexyl-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 93018625
(5R)-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 45116190
3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate
CID 51681874
ethyl (3S)-1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 1241715
ethyl 1-[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 6459232
ethyl 1-(2-methoxyacetyl)piperidine-3-carboxylate
CID 4778007
ethyl 1-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 46109609
3-(3-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103549686
ethyl 1-(2-methylpyrrolidine-3-carbonyl)piperidine-3-carboxylate
CID 79383234

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-1-(5-oxopyrrolidine-2-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-1-(5-oxopyrrolidine-2-carbonyl)piperidine-3-carboxylate (CID 81345446) is ethyl (3S)-1-(5-oxopyrrolidine-2-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-1-(5-oxopyrrolidine-2-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-1-(5-oxopyrrolidine-2-carbonyl)piperidine-3-carboxylate is CCOC(=O)[C@H]1CCCN(C(=O)C2CCC(=O)N2)C1.
What is the InChIKey of ethyl (3S)-1-(5-oxopyrrolidine-2-carbonyl)piperidine-3-carboxylate?
The InChIKey is DRJWHZPPQDMLJA-RGURZIINSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-2-19-13(18)9-4-3-7-15(8-9)12(17)10-5-6-11(16)14-10/h9-10H,2-8H2,1H3,(H,14,16)/t9-,10?/m0/s1.
What are the key properties of ethyl (3S)-1-(5-oxopyrrolidine-2-carbonyl)piperidine-3-carboxylate?
ethyl (3S)-1-(5-oxopyrrolidine-2-carbonyl)piperidine-3-carboxylate has a molecular weight of 268.31 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-1-(5-oxopyrrolidine-2-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 81345446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).