2-(2-methylpropyl)-5-oxopyrrolidine-3-carboxylic acid

C9H15NO3 — CID 82602134

IUPAC2-(2-methylpropyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCC(C)CC1NC(=O)CC1C(=O)O
InChIInChI=1S/C9H15NO3/c1-5(2)3-7-6(9(12)13)4-8(11)10-7/h5-7H,3-4H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyLQXKLIVWROWUPL-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.62
Rot. Bonds3

About 2-(2-methylpropyl)-5-oxopyrrolidine-3-carboxylic acid

2-(2-methylpropyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 82602134) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-(2-methylpropyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylpropyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID82602134
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-(2-methylpropyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCC(C)CC1NC(=O)CC1C(=O)O
InChIInChI=1S/C9H15NO3/c1-5(2)3-7-6(9(12)13)4-8(11)10-7/h5-7H,3-4H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyLQXKLIVWROWUPL-UHFFFAOYSA-N
XLogP0.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-methylpropyl)-2-oxopiperidine-4-carboxylic acid
CID 165457686
5-(2-methylpropyl)-4-propylpyrrolidin-2-one
CID 66107021
(2S,3R)-2-(methoxymethyl)-6-oxopiperidine-3-carboxylic acid
CID 90488095
2-[(3-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 82389065
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methylpropyl)pyrrolidin-2-one
CID 11780641
4-(4-chlorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one
CID 66106592
trans-(1S,2R)-2-(2-methylpropyl)cyclopropane-1-carboxylic acid
CID 94420067
5-(2-methylpropyl)azepane-4-carboxylic acid
CID 84669033
ethane;4-methylpentanoic acid;5-methylpyrrolidin-2-one
CID 169191728
(3R,4S)-4-(2-methylpropyl)pyrrolidine-3-carboxylic acid
CID 15516932
(4S,5R)-5-(hydroxymethyl)-4-propan-2-ylpyrrolidin-2-one
CID 176971027
5-(2-methylpropyl)-4-(4-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 66109178

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 2-(2-methylpropyl)-5-oxopyrrolidine-3-carboxylic acid (CID 82602134) is 2-(2-methylpropyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-(2-methylpropyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-(2-methylpropyl)-5-oxopyrrolidine-3-carboxylic acid is CC(C)CC1NC(=O)CC1C(=O)O.
What is the InChIKey of 2-(2-methylpropyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is LQXKLIVWROWUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-5(2)3-7-6(9(12)13)4-8(11)10-7/h5-7H,3-4H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 2-(2-methylpropyl)-5-oxopyrrolidine-3-carboxylic acid?
2-(2-methylpropyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 185.22 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 82602134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).