3-butan-2-yl-3-methyl-5-oxopyrrolidine-2-carboxylic acid

C10H17NO3 — CID 105359974

IUPAC3-butan-2-yl-3-methyl-5-oxopyrrolidine-2-carboxylic acid
SMILESCCC(C)C1(C)CC(=O)NC1C(=O)O
InChIInChI=1S/C10H17NO3/c1-4-6(2)10(3)5-7(12)11-8(10)9(13)14/h6,8H,4-5H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyLEELPBQICQHLAZ-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.01
Rot. Bonds3

About 3-butan-2-yl-3-methyl-5-oxopyrrolidine-2-carboxylic acid

3-butan-2-yl-3-methyl-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 105359974) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-butan-2-yl-3-methyl-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-butan-2-yl-3-methyl-5-oxopyrrolidine-2-carboxylic acid
PubChem CID105359974
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name3-butan-2-yl-3-methyl-5-oxopyrrolidine-2-carboxylic acid
SMILESCCC(C)C1(C)CC(=O)NC1C(=O)O
InChIInChI=1S/C10H17NO3/c1-4-6(2)10(3)5-7(12)11-8(10)9(13)14/h6,8H,4-5H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyLEELPBQICQHLAZ-UHFFFAOYSA-N
XLogP1.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-butan-2-yl-4-methyl-5-(2-methylpropyl)pyrrolidin-2-one
CID 66108109
2-butan-2-yl-2-methylcyclopropane-1-carboxylic acid
CID 62388831
3-(cyclobutylmethyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid
CID 105359808
3-methyl-5-oxo-3-(2-phenylethyl)pyrrolidine-2-carboxylic acid
CID 105360048
7,7-dimethyl-3-oxo-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid
CID 105359842
4,5-dimethyl-4-propan-2-ylpyrrolidin-2-one
CID 66108263
7,9-dimethyl-3-oxo-2-azaspiro[4.5]decane-1-carboxylic acid
CID 105359830
(3S)-2,2-dimethyl-5-oxothiomorpholine-3-carboxylic acid
CID 14039527
3-ethyl-3-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 105360039
3-methyl-5-oxo-3-(oxolan-2-yl)pyrrolidine-2-carboxylic acid
CID 130577831
(4S)-4,5,6-trimethyl-4-propan-2-ylpiperidin-2-one
CID 145215661
3-butan-2-yl-3-methyl-4-oxooxetane-2-carboxylic acid
CID 130144805

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-3-methyl-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of 3-butan-2-yl-3-methyl-5-oxopyrrolidine-2-carboxylic acid (CID 105359974) is 3-butan-2-yl-3-methyl-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-butan-2-yl-3-methyl-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-butan-2-yl-3-methyl-5-oxopyrrolidine-2-carboxylic acid is CCC(C)C1(C)CC(=O)NC1C(=O)O.
What is the InChIKey of 3-butan-2-yl-3-methyl-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is LEELPBQICQHLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-4-6(2)10(3)5-7(12)11-8(10)9(13)14/h6,8H,4-5H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 3-butan-2-yl-3-methyl-5-oxopyrrolidine-2-carboxylic acid?
3-butan-2-yl-3-methyl-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 199.25 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-3-methyl-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 105359974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).