ethyl 2-[(1-cyclopentylpyrrolidin-3-yl)amino]-2-oxoacetate

C13H22N2O3 — CID 110461541

IUPACethyl 2-[(1-cyclopentylpyrrolidin-3-yl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NC1CCN(C2CCCC2)C1
InChIInChI=1S/C13H22N2O3/c1-2-18-13(17)12(16)14-10-7-8-15(9-10)11-5-3-4-6-11/h10-11H,2-9H2,1H3,(H,14,16)
InChIKeyPHFFSXGSWORHLV-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.68
Rot. Bonds3

About ethyl 2-[(1-cyclopentylpyrrolidin-3-yl)amino]-2-oxoacetate

ethyl 2-[(1-cyclopentylpyrrolidin-3-yl)amino]-2-oxoacetate (PubChem CID 110461541) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is ethyl 2-[(1-cyclopentylpyrrolidin-3-yl)amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[(1-cyclopentylpyrrolidin-3-yl)amino]-2-oxoacetate
PubChem CID110461541
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Nameethyl 2-[(1-cyclopentylpyrrolidin-3-yl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NC1CCN(C2CCCC2)C1
InChIInChI=1S/C13H22N2O3/c1-2-18-13(17)12(16)14-10-7-8-15(9-10)11-5-3-4-6-11/h10-11H,2-9H2,1H3,(H,14,16)
InChIKeyPHFFSXGSWORHLV-UHFFFAOYSA-N
XLogP0.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

methyl N-(1-cyclohexylpyrrolidin-3-yl)carbamate
CID 110477693
N-(1-cyclohexylpyrrolidin-3-yl)cyclohexanecarboxamide
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N-(1-cyclopentylpyrrolidin-3-yl)-2-methylpropanamide
CID 110459860
ethyl 4-[3-(cyclopentanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate
CID 75239371
tert-butyl N-(1-cyclopentylpyrrolidin-3-yl)carbamate
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ethyl 4-[(3R)-3-(cyclohexanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate
CID 46872062
ethyl 3-[[(3R)-1-cycloheptylpiperidin-3-yl]carbamoylamino]propanoate
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ethyl N-(1-cyclopropylpiperidin-4-yl)carbamate
CID 60709264
1-(1-cyclopentylpyrrolidin-3-yl)-3-(2-ethyl-2-hydroxybutyl)urea
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ethyl 2-[(4-aminocyclohexyl)amino]-2-oxoacetate
CID 165449507
ethyl 1-cyclopentylpiperidine-3-carboxylate
CID 62025944
ethyl 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-3-carboxylate
CID 12519345

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-cyclopentylpyrrolidin-3-yl)amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[(1-cyclopentylpyrrolidin-3-yl)amino]-2-oxoacetate (CID 110461541) is ethyl 2-[(1-cyclopentylpyrrolidin-3-yl)amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[(1-cyclopentylpyrrolidin-3-yl)amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[(1-cyclopentylpyrrolidin-3-yl)amino]-2-oxoacetate is CCOC(=O)C(=O)NC1CCN(C2CCCC2)C1.
What is the InChIKey of ethyl 2-[(1-cyclopentylpyrrolidin-3-yl)amino]-2-oxoacetate?
The InChIKey is PHFFSXGSWORHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-2-18-13(17)12(16)14-10-7-8-15(9-10)11-5-3-4-6-11/h10-11H,2-9H2,1H3,(H,14,16).
What are the key properties of ethyl 2-[(1-cyclopentylpyrrolidin-3-yl)amino]-2-oxoacetate?
ethyl 2-[(1-cyclopentylpyrrolidin-3-yl)amino]-2-oxoacetate has a molecular weight of 254.33 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-cyclopentylpyrrolidin-3-yl)amino]-2-oxoacetate is sourced from PubChem (CID 110461541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).