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

C11H19NO3 — CID 58608213

IUPAC2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]propanoic acid
SMILESCCCC[C@H]1CCN(C(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-GKAPJAKFSA-N
MW213.28 g/mol
LogP1.50
Rot. Bonds5

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

2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]propanoic acid (PubChem CID 58608213) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]propanoic acid
PubChem CID58608213
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]propanoic acid
SMILESCCCC[C@H]1CCN(C(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-GKAPJAKFSA-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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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]propanoic acid?
The IUPAC name of 2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]propanoic acid (CID 58608213) is 2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]propanoic acid.
What is the SMILES notation for 2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]propanoic acid?
The canonical SMILES for 2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]propanoic acid is CCCC[C@H]1CCN(C(C)C(=O)O)C1=O.
What is the InChIKey of 2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]propanoic acid?
The InChIKey is QVKWPVACPIZXQX-GKAPJAKFSA-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 2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]propanoic acid?
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 2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]propanoic acid is sourced from PubChem (CID 58608213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).