5-oxopentyl pyrrolidine-2-carboxylate

C10H17NO3 — CID 150064601

IUPAC5-oxopentyl pyrrolidine-2-carboxylate
SMILESO=CCCCCOC(=O)C1CCCN1
InChIInChI=1S/C10H17NO3/c12-7-2-1-3-8-14-10(13)9-5-4-6-11-9/h7,9,11H,1-6,8H2
InChIKeyDNZVKAONTYQVNJ-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.65
Rot. Bonds6

About 5-oxopentyl pyrrolidine-2-carboxylate

5-oxopentyl pyrrolidine-2-carboxylate (PubChem CID 150064601) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 5-oxopentyl pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name5-oxopentyl pyrrolidine-2-carboxylate
PubChem CID150064601
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name5-oxopentyl pyrrolidine-2-carboxylate
SMILESO=CCCCCOC(=O)C1CCCN1
InChIInChI=1S/C10H17NO3/c12-7-2-1-3-8-14-10(13)9-5-4-6-11-9/h7,9,11H,1-6,8H2
InChIKeyDNZVKAONTYQVNJ-UHFFFAOYSA-N
XLogP0.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

heptyl pyrrolidine-2-carboxylate
CID 14777077
2-formamidoethyl pyrrolidine-2-carboxylate
CID 123750935
2-aminoethyl pyrrolidine-2-carboxylate
CID 91476138
6-nitrooxyhexyl pyrrolidine-2-carboxylate
CID 69042373
3-aminopropyl piperidine-2-carboxylate
CID 71376838
3-(2-methoxyethoxy)propyl pyrrolidine-2-carboxylate
CID 103403172
octyl (2R)-piperidine-2-carboxylate
CID 11096763
2-cyclopropylethyl (2R)-pyrrolidine-2-carboxylate
CID 106202472
2-cyclopropylethyl (2S)-pyrrolidine-2-carboxylate
CID 106202565
butyl (2S)-piperidine-2-carboxylate
CID 54130362
hexyl azocane-2-carboxylate
CID 114239843
2-cyclobutylethyl (2S)-pyrrolidine-2-carboxylate
CID 106202899

Frequently Asked Questions

What is the IUPAC name of 5-oxopentyl pyrrolidine-2-carboxylate?
The IUPAC name of 5-oxopentyl pyrrolidine-2-carboxylate (CID 150064601) is 5-oxopentyl pyrrolidine-2-carboxylate.
What is the SMILES notation for 5-oxopentyl pyrrolidine-2-carboxylate?
The canonical SMILES for 5-oxopentyl pyrrolidine-2-carboxylate is O=CCCCCOC(=O)C1CCCN1.
What is the InChIKey of 5-oxopentyl pyrrolidine-2-carboxylate?
The InChIKey is DNZVKAONTYQVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c12-7-2-1-3-8-14-10(13)9-5-4-6-11-9/h7,9,11H,1-6,8H2.
What are the key properties of 5-oxopentyl pyrrolidine-2-carboxylate?
5-oxopentyl pyrrolidine-2-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxopentyl pyrrolidine-2-carboxylate is sourced from PubChem (CID 150064601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).