3,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanoic acid

C10H17NO3 — CID 63645323

IUPAC3,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanoic acid
SMILESCC(C)(C)C(C(=O)O)N1CCCC1=O
InChIInChI=1S/C10H17NO3/c1-10(2,3)8(9(13)14)11-6-4-5-7(11)12/h8H,4-6H2,1-3H3,(H,13,14)
InChIKeyWOMAHGKEHKOOKD-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.11
Rot. Bonds2

About 3,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanoic acid

3,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanoic acid (PubChem CID 63645323) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanoic acid
PubChem CID63645323
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name3,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanoic acid
SMILESCC(C)(C)C(C(=O)O)N1CCCC1=O
InChIInChI=1S/C10H17NO3/c1-10(2,3)8(9(13)14)11-6-4-5-7(11)12/h8H,4-6H2,1-3H3,(H,13,14)
InChIKeyWOMAHGKEHKOOKD-UHFFFAOYSA-N
XLogP1.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-Oxopyrrolidin-1-yl)butanoic acid, (2S)-
CID 11607993
2-(2-Oxopyrrolidin-1-yl)propanoic acid
CID 3018702
2-(2-Oxopyrrolidin-1-yl)butanoic acid
CID 10464751
2-(2,5-Dioxopyrrolidin-1-yl)butanoic acid
CID 19018226
2-(2,5-Dioxopyrrolidin-1-yl)-3,3-dimethylbutanoic acid
CID 63644827
1-(3,3-Dimethylbutanoyl)pyrrolidine-2-carboxylic acid
CID 16769475
3-Methyl-2-(2-oxopyrrolidin-1-yl)butanoic acid
CID 18410237
2-(3,3-Dimethyl-2,5-dioxopyrrolidin-1-yl)acetic acid
CID 65298366
2-(2-Oxopyrrolidin-1-yl)butanoic acid, (2R)-
CID 11600747
4-Methyl-2-(2-oxopyrrolidin-1-yl)pentanoic acid
CID 43166880
N-succinyl l-valine
CID 2046817
N-succinyl-d-valine
CID 2046819

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanoic acid?
The IUPAC name of 3,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanoic acid (CID 63645323) is 3,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanoic acid.
What is the SMILES notation for 3,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanoic acid?
The canonical SMILES for 3,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanoic acid is CC(C)(C)C(C(=O)O)N1CCCC1=O.
What is the InChIKey of 3,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanoic acid?
The InChIKey is WOMAHGKEHKOOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-10(2,3)8(9(13)14)11-6-4-5-7(11)12/h8H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 3,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanoic acid?
3,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanoic acid has a molecular weight of 199.25 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanoic acid is sourced from PubChem (CID 63645323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).