(2S)-2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]propanoic acid

C11H19NO3 — CID 59746635

IUPAC(2S)-2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]propanoic acid
SMILESCCCC[C@H]1CCN([C@@H](C)C(=O)O)C1=O
InChIInChI=1S/C11H19NO3/c1-3-4-5-9-6-7-12(10(9)13)8(2)11(14)15/h8-9H,3-7H2,1-2H3,(H,14,15)/t8-,9-/m0/s1
InChIKeyQVKWPVACPIZXQX-IUCAKERBSA-N
MW213.28 g/mol
LogP1.50
Rot. Bonds5

About (2S)-2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]propanoic acid

(2S)-2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]propanoic acid (PubChem CID 59746635) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (2S)-2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]propanoic acid
PubChem CID59746635
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(2S)-2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]propanoic acid
SMILESCCCC[C@H]1CCN([C@@H](C)C(=O)O)C1=O
InChIInChI=1S/C11H19NO3/c1-3-4-5-9-6-7-12(10(9)13)8(2)11(14)15/h8-9H,3-7H2,1-2H3,(H,14,15)/t8-,9-/m0/s1
InChIKeyQVKWPVACPIZXQX-IUCAKERBSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Cyclohexanecarbonylpyrrolidine-2-carboxylic acid
CID 4627654
1-Cyclopentanecarbonylpyrrolidine-2-carboxylic acid
CID 16228463
(2S)-3-hydroxy-2-[(3S)-3-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl]propanoic acid
CID 90668204
4-Methyl-2-(2-oxopyrrolidin-1-yl)pentanoic acid
CID 43166880
(s)-Methyl 2-(3-butyl-2-oxopyrrolidin-1-yl)acetate
CID 58813108
Brivaracetam Impurity 87
CID 59650079
Methyl 2-[4-(2-fluoro-2-methylpropyl)-2-oxopyrrolidin-1-yl]butanoate
CID 58718599
Unii-2EO3gfe2R9
CID 59650074
2-[4-(2-Fluoro-2-methylpropyl)-2-oxopyrrolidin-1-yl]butanoic acid
CID 70995658
Methyl 2-(2-oxo-4-propylpyrrolidin-1-yl)butanoate
CID 58718586
2-Fluoro-2-(2-oxo-4-propylpyrrolidin-1-yl)acetic acid
CID 104511139
1-(4-Methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
CID 6618809

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]propanoic acid?
The IUPAC name of (2S)-2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]propanoic acid (CID 59746635) is (2S)-2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]propanoic acid.
What is the SMILES notation for (2S)-2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]propanoic acid?
The canonical SMILES for (2S)-2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]propanoic acid is CCCC[C@H]1CCN([C@@H](C)C(=O)O)C1=O.
What is the InChIKey of (2S)-2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]propanoic acid?
The InChIKey is QVKWPVACPIZXQX-IUCAKERBSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-4-5-9-6-7-12(10(9)13)8(2)11(14)15/h8-9H,3-7H2,1-2H3,(H,14,15)/t8-,9-/m0/s1.
What are the key properties of (2S)-2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]propanoic acid?
(2S)-2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]propanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]propanoic acid is sourced from PubChem (CID 59746635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).