6-(2-oxopyrrolidin-3-yl)hexanoic acid

C10H17NO3 — CID 54373858

IUPAC6-(2-oxopyrrolidin-3-yl)hexanoic acid
SMILESO=C(O)CCCCCC1CCNC1=O
InChIInChI=1S/C10H17NO3/c12-9(13)5-3-1-2-4-8-6-7-11-10(8)14/h8H,1-7H2,(H,11,14)(H,12,13)
InChIKeyUVCKDTRSSZOVSL-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.16
Rot. Bonds6

About 6-(2-oxopyrrolidin-3-yl)hexanoic acid

6-(2-oxopyrrolidin-3-yl)hexanoic acid (PubChem CID 54373858) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 6-(2-oxopyrrolidin-3-yl)hexanoic acid.

Molecular Properties

Compound Name6-(2-oxopyrrolidin-3-yl)hexanoic acid
PubChem CID54373858
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name6-(2-oxopyrrolidin-3-yl)hexanoic acid
SMILESO=C(O)CCCCCC1CCNC1=O
InChIInChI=1S/C10H17NO3/c12-9(13)5-3-1-2-4-8-6-7-11-10(8)14/h8H,1-7H2,(H,11,14)(H,12,13)
InChIKeyUVCKDTRSSZOVSL-UHFFFAOYSA-N
XLogP1.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.16
H-Bond Donors ≤ 52
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-3-yl)hexanoic acid?
The IUPAC name of 6-(2-oxopyrrolidin-3-yl)hexanoic acid (CID 54373858) is 6-(2-oxopyrrolidin-3-yl)hexanoic acid.
What is the SMILES notation for 6-(2-oxopyrrolidin-3-yl)hexanoic acid?
The canonical SMILES for 6-(2-oxopyrrolidin-3-yl)hexanoic acid is O=C(O)CCCCCC1CCNC1=O.
What is the InChIKey of 6-(2-oxopyrrolidin-3-yl)hexanoic acid?
The InChIKey is UVCKDTRSSZOVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c12-9(13)5-3-1-2-4-8-6-7-11-10(8)14/h8H,1-7H2,(H,11,14)(H,12,13).
What are the key properties of 6-(2-oxopyrrolidin-3-yl)hexanoic acid?
6-(2-oxopyrrolidin-3-yl)hexanoic acid has a molecular weight of 199.25 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-oxopyrrolidin-3-yl)hexanoic acid is sourced from PubChem (CID 54373858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).