5-(2,2-dimethyl-4-oxopyrrolidin-1-yl)pentanoic acid

C11H19NO3 — CID 163404270

IUPAC5-(2,2-dimethyl-4-oxopyrrolidin-1-yl)pentanoic acid
SMILESCC1(C)CC(=O)CN1CCCCC(=O)O
InChIInChI=1S/C11H19NO3/c1-11(2)7-9(13)8-12(11)6-4-3-5-10(14)15/h3-8H2,1-2H3,(H,14,15)
InChIKeyPEVGZWVFUUPJSP-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.29
Rot. Bonds5

About 5-(2,2-dimethyl-4-oxopyrrolidin-1-yl)pentanoic acid

5-(2,2-dimethyl-4-oxopyrrolidin-1-yl)pentanoic acid (PubChem CID 163404270) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 5-(2,2-dimethyl-4-oxopyrrolidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-(2,2-dimethyl-4-oxopyrrolidin-1-yl)pentanoic acid
PubChem CID163404270
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name5-(2,2-dimethyl-4-oxopyrrolidin-1-yl)pentanoic acid
SMILESCC1(C)CC(=O)CN1CCCCC(=O)O
InChIInChI=1S/C11H19NO3/c1-11(2)7-9(13)8-12(11)6-4-3-5-10(14)15/h3-8H2,1-2H3,(H,14,15)
InChIKeyPEVGZWVFUUPJSP-UHFFFAOYSA-N
XLogP1.29
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-oxo-5-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)pentanoic acid
CID 56693735
4-(2,2-dimethyl-3-oxopiperazin-1-yl)butanoic acid
CID 63607322
5-(1,3-dihydroisoindol-2-yl)pentanoic acid
CID 2063858
5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid
CID 28971868
4-(2,2,4-trimethylpiperazin-1-yl)butanoic acid
CID 57258120
5-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid
CID 57107781
5-(4-methyl-3-oxo-1,4-diazepan-1-yl)pentanoic acid
CID 102889464
5-(4-ethyl-2,5-dioxopiperazin-1-yl)pentanoic acid
CID 79936678
12-(3,3-dimethyl-5-methylidene-2,6-dioxopiperidin-1-yl)dodecanoic acid
CID 169291208
5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid
CID 63608884
5-(3,3-diethylazetidin-1-yl)pentanoic acid
CID 79694469
hexanedioic acid;3,5,5-trimethylcyclohex-2-en-1-one
CID 157499044

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethyl-4-oxopyrrolidin-1-yl)pentanoic acid?
The IUPAC name of 5-(2,2-dimethyl-4-oxopyrrolidin-1-yl)pentanoic acid (CID 163404270) is 5-(2,2-dimethyl-4-oxopyrrolidin-1-yl)pentanoic acid.
What is the SMILES notation for 5-(2,2-dimethyl-4-oxopyrrolidin-1-yl)pentanoic acid?
The canonical SMILES for 5-(2,2-dimethyl-4-oxopyrrolidin-1-yl)pentanoic acid is CC1(C)CC(=O)CN1CCCCC(=O)O.
What is the InChIKey of 5-(2,2-dimethyl-4-oxopyrrolidin-1-yl)pentanoic acid?
The InChIKey is PEVGZWVFUUPJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-11(2)7-9(13)8-12(11)6-4-3-5-10(14)15/h3-8H2,1-2H3,(H,14,15).
What are the key properties of 5-(2,2-dimethyl-4-oxopyrrolidin-1-yl)pentanoic acid?
5-(2,2-dimethyl-4-oxopyrrolidin-1-yl)pentanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethyl-4-oxopyrrolidin-1-yl)pentanoic acid is sourced from PubChem (CID 163404270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).