ethyl 2-oxo-3-(pyrrolidine-1-carbonylamino)pentanoate

C12H20N2O4 — CID 58602905

IUPACethyl 2-oxo-3-(pyrrolidine-1-carbonylamino)pentanoate
SMILESCCOC(=O)C(=O)C(CC)NC(=O)N1CCCC1
InChIInChI=1S/C12H20N2O4/c1-3-9(10(15)11(16)18-4-2)13-12(17)14-7-5-6-8-14/h9H,3-8H2,1-2H3,(H,13,17)
InChIKeyHUWBSJVMIZZYPN-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.70
Rot. Bonds5

About ethyl 2-oxo-3-(pyrrolidine-1-carbonylamino)pentanoate

ethyl 2-oxo-3-(pyrrolidine-1-carbonylamino)pentanoate (PubChem CID 58602905) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is ethyl 2-oxo-3-(pyrrolidine-1-carbonylamino)pentanoate.

Molecular Properties

Compound Nameethyl 2-oxo-3-(pyrrolidine-1-carbonylamino)pentanoate
PubChem CID58602905
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Nameethyl 2-oxo-3-(pyrrolidine-1-carbonylamino)pentanoate
SMILESCCOC(=O)C(=O)C(CC)NC(=O)N1CCCC1
InChIInChI=1S/C12H20N2O4/c1-3-9(10(15)11(16)18-4-2)13-12(17)14-7-5-6-8-14/h9H,3-8H2,1-2H3,(H,13,17)
InChIKeyHUWBSJVMIZZYPN-UHFFFAOYSA-N
XLogP0.70
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.70
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 3-hydroxy-2-(pyrrolidine-1-carbonylamino)propanoate
CID 79162041
N-butan-2-ylpyrrolidine-1-carboxamide
CID 17217776
N-(3-methylpentan-2-yl)azepane-1-carboxamide
CID 115591353
(2R,3S)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoic acid
CID 51420775
(2S,3R)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoate
CID 6956443
2-(azepane-1-carbonylamino)-3-methoxypropanoic acid
CID 81077084
ethyl 2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylacetyl)amino]acetate
CID 141279894
ethyl pyrrolidine-1-carboxylate;methanol
CID 153400940
ethyl azacycloundecane-1-carboxylate
CID 67670496
ethyl 3-methyl-2-piperidin-1-ylbut-2-enoate
CID 14613354
N-pentan-2-ylazepane-1-carboxamide
CID 115583076
N-[(2R)-1-aminopropan-2-yl]azepane-1-carboxamide
CID 96683108

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-3-(pyrrolidine-1-carbonylamino)pentanoate?
The IUPAC name of ethyl 2-oxo-3-(pyrrolidine-1-carbonylamino)pentanoate (CID 58602905) is ethyl 2-oxo-3-(pyrrolidine-1-carbonylamino)pentanoate.
What is the SMILES notation for ethyl 2-oxo-3-(pyrrolidine-1-carbonylamino)pentanoate?
The canonical SMILES for ethyl 2-oxo-3-(pyrrolidine-1-carbonylamino)pentanoate is CCOC(=O)C(=O)C(CC)NC(=O)N1CCCC1.
What is the InChIKey of ethyl 2-oxo-3-(pyrrolidine-1-carbonylamino)pentanoate?
The InChIKey is HUWBSJVMIZZYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-3-9(10(15)11(16)18-4-2)13-12(17)14-7-5-6-8-14/h9H,3-8H2,1-2H3,(H,13,17).
What are the key properties of ethyl 2-oxo-3-(pyrrolidine-1-carbonylamino)pentanoate?
ethyl 2-oxo-3-(pyrrolidine-1-carbonylamino)pentanoate has a molecular weight of 256.30 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-3-(pyrrolidine-1-carbonylamino)pentanoate is sourced from PubChem (CID 58602905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).