6-(2-oxopyrrolidin-1-yl)hexanoic acid

C10H17NO3 — CID 19697202

IUPAC6-(2-oxopyrrolidin-1-yl)hexanoic acid
SMILESO=C(O)CCCCCN1CCCC1=O
InChIInChI=1S/C10H17NO3/c12-9-5-4-8-11(9)7-3-1-2-6-10(13)14/h1-8H2,(H,13,14)
InChIKeyUEPANVNVVYKGTQ-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.25
Rot. Bonds6

About 6-(2-oxopyrrolidin-1-yl)hexanoic acid

6-(2-oxopyrrolidin-1-yl)hexanoic acid (PubChem CID 19697202) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 6-(2-oxopyrrolidin-1-yl)hexanoic acid.

Molecular Properties

Compound Name6-(2-oxopyrrolidin-1-yl)hexanoic acid
PubChem CID19697202
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name6-(2-oxopyrrolidin-1-yl)hexanoic acid
SMILESO=C(O)CCCCCN1CCCC1=O
InChIInChI=1S/C10H17NO3/c12-9-5-4-8-11(9)7-3-1-2-6-10(13)14/h1-8H2,(H,13,14)
InChIKeyUEPANVNVVYKGTQ-UHFFFAOYSA-N
XLogP1.25
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-oxopyrrolidin-1-yl)hexanoic acid?
The IUPAC name of 6-(2-oxopyrrolidin-1-yl)hexanoic acid (CID 19697202) is 6-(2-oxopyrrolidin-1-yl)hexanoic acid.
What is the SMILES notation for 6-(2-oxopyrrolidin-1-yl)hexanoic acid?
The canonical SMILES for 6-(2-oxopyrrolidin-1-yl)hexanoic acid is O=C(O)CCCCCN1CCCC1=O.
What is the InChIKey of 6-(2-oxopyrrolidin-1-yl)hexanoic acid?
The InChIKey is UEPANVNVVYKGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c12-9-5-4-8-11(9)7-3-1-2-6-10(13)14/h1-8H2,(H,13,14).
What are the key properties of 6-(2-oxopyrrolidin-1-yl)hexanoic acid?
6-(2-oxopyrrolidin-1-yl)hexanoic acid has a molecular weight of 199.25 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-oxopyrrolidin-1-yl)hexanoic acid is sourced from PubChem (CID 19697202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).