2-(4-chloro-2-oxopyrrolidin-1-yl)hexanoic acid

C10H16ClNO3 — CID 168686944

IUPAC2-(4-chloro-2-oxopyrrolidin-1-yl)hexanoic acid
SMILESCCCCC(C(=O)O)N1CC(Cl)CC1=O
InChIInChI=1S/C10H16ClNO3/c1-2-3-4-8(10(14)15)12-6-7(11)5-9(12)13/h7-8H,2-6H2,1H3,(H,14,15)
InChIKeyOXOALRJBESNEPU-UHFFFAOYSA-N
MW233.69 g/mol
LogP1.47
Rot. Bonds5

About 2-(4-chloro-2-oxopyrrolidin-1-yl)hexanoic acid

2-(4-chloro-2-oxopyrrolidin-1-yl)hexanoic acid (PubChem CID 168686944) has the molecular formula C10H16ClNO3 and a molecular weight of 233.69 g/mol. Its IUPAC name is 2-(4-chloro-2-oxopyrrolidin-1-yl)hexanoic acid.

Molecular Properties

Compound Name2-(4-chloro-2-oxopyrrolidin-1-yl)hexanoic acid
PubChem CID168686944
Molecular FormulaC10H16ClNO3
Molecular Weight233.69 g/mol
Exact Mass233.08
IUPAC Name2-(4-chloro-2-oxopyrrolidin-1-yl)hexanoic acid
SMILESCCCCC(C(=O)O)N1CC(Cl)CC1=O
InChIInChI=1S/C10H16ClNO3/c1-2-3-4-8(10(14)15)12-6-7(11)5-9(12)13/h7-8H,2-6H2,1H3,(H,14,15)
InChIKeyOXOALRJBESNEPU-UHFFFAOYSA-N
XLogP1.47
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.69
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(4-chloro-2-oxopyrrolidin-1-yl)butanoic acid
CID 168686963
2-(4-hydroxy-2-oxopyrrolidin-1-yl)octanoic acid
CID 168701551
2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]octanoic acid
CID 168506628
(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]hexanoic acid
CID 168674814
2-[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]octanoic acid
CID 168669302
4-chloro-1-octan-2-ylpyrrolidin-2-one
CID 168686949
2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]octanoic acid
CID 168680298
2-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoic acid
CID 61036684
2-(3,5-dioxothiomorpholin-4-yl)hexanoic acid
CID 104570388
(2S)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanoic acid
CID 59650074
(2S)-2-[(4S)-2-oxo-4-propylpyrrolidin-1-yl]butanoic acid
CID 67365791
(2S)-2-(4-chloro-2-oxopyrrolidin-1-yl)-3-phenylmethoxypropanoic acid
CID 168687132

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-oxopyrrolidin-1-yl)hexanoic acid?
The IUPAC name of 2-(4-chloro-2-oxopyrrolidin-1-yl)hexanoic acid (CID 168686944) is 2-(4-chloro-2-oxopyrrolidin-1-yl)hexanoic acid.
What is the SMILES notation for 2-(4-chloro-2-oxopyrrolidin-1-yl)hexanoic acid?
The canonical SMILES for 2-(4-chloro-2-oxopyrrolidin-1-yl)hexanoic acid is CCCCC(C(=O)O)N1CC(Cl)CC1=O.
What is the InChIKey of 2-(4-chloro-2-oxopyrrolidin-1-yl)hexanoic acid?
The InChIKey is OXOALRJBESNEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNO3/c1-2-3-4-8(10(14)15)12-6-7(11)5-9(12)13/h7-8H,2-6H2,1H3,(H,14,15).
What are the key properties of 2-(4-chloro-2-oxopyrrolidin-1-yl)hexanoic acid?
2-(4-chloro-2-oxopyrrolidin-1-yl)hexanoic acid has a molecular weight of 233.69 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-oxopyrrolidin-1-yl)hexanoic acid is sourced from PubChem (CID 168686944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).