2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)propanoic acid

C9H15NO3 — CID 159584940

IUPAC2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1C(=O)CCC1(C)C
InChIInChI=1S/C9H15NO3/c1-6(8(12)13)10-7(11)4-5-9(10,2)3/h6H,4-5H2,1-3H3,(H,12,13)
InChIKeyJFSDXTCDHNLLLN-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.86
Rot. Bonds2

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

2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)propanoic acid (PubChem CID 159584940) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)propanoic acid
PubChem CID159584940
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1C(=O)CCC1(C)C
InChIInChI=1S/C9H15NO3/c1-6(8(12)13)10-7(11)4-5-9(10,2)3/h6H,4-5H2,1-3H3,(H,12,13)
InChIKeyJFSDXTCDHNLLLN-UHFFFAOYSA-N
XLogP0.86
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dioxopyrrolidin-1-yl)propanoic acid
CID 2770225
2-(2,7-dioxoazepan-1-yl)propanoic acid
CID 43446708
1-acetyl-5,5-dimethylpyrrolidin-2-one
CID 144885705
N-(2-amino-2-oxoethyl)-2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)butanamide
CID 3050862
(2R)-2-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]propanoic acid
CID 129491011
1-(hydroxymethyl)-5,5-dimethylpyrrolidin-2-one
CID 140856572
(2R)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoic acid
CID 51664154
2-(3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl)propanoic acid
CID 43437460
(2R)-2-[(3aR,6aR)-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]propanoic acid
CID 129321650
2-(2-oxoazepan-1-yl)propanoic acid
CID 23005468
2-(3,5-dioxomorpholin-4-yl)propanoic acid
CID 61327379
6,6-dimethyl-1-(1-phenylethyl)piperidin-3-one
CID 117020911

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)propanoic acid?
The IUPAC name of 2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)propanoic acid (CID 159584940) is 2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)propanoic acid.
What is the SMILES notation for 2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)propanoic acid?
The canonical SMILES for 2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)propanoic acid is CC(C(=O)O)N1C(=O)CCC1(C)C.
What is the InChIKey of 2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)propanoic acid?
The InChIKey is JFSDXTCDHNLLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6(8(12)13)10-7(11)4-5-9(10,2)3/h6H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)propanoic acid?
2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)propanoic acid has a molecular weight of 185.22 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)propanoic acid is sourced from PubChem (CID 159584940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).