(2S)-2-(2-oxopyrrolidin-1-yl)butanoic acid

C8H13NO3 — CID 11607993

IUPAC(2S)-2-(2-oxopyrrolidin-1-yl)butanoic acid
SMILESCC[C@@H](C(=O)O)N1CCCC1=O
InChIInChI=1S/C8H13NO3/c1-2-6(8(11)12)9-5-3-4-7(9)10/h6H,2-5H2,1H3,(H,11,12)/t6-/m0/s1
InChIKeyIODGAONBTQRGGG-LURJTMIESA-N
MW171.20 g/mol
LogP0.47
Rot. Bonds3

About (2S)-2-(2-oxopyrrolidin-1-yl)butanoic acid

(2S)-2-(2-oxopyrrolidin-1-yl)butanoic acid (PubChem CID 11607993) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is (2S)-2-(2-oxopyrrolidin-1-yl)butanoic acid.

Molecular Properties

Compound Name(2S)-2-(2-oxopyrrolidin-1-yl)butanoic acid
PubChem CID11607993
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name(2S)-2-(2-oxopyrrolidin-1-yl)butanoic acid
SMILESCC[C@@H](C(=O)O)N1CCCC1=O
InChIInChI=1S/C8H13NO3/c1-2-6(8(11)12)9-5-3-4-7(9)10/h6H,2-5H2,1H3,(H,11,12)/t6-/m0/s1
InChIKeyIODGAONBTQRGGG-LURJTMIESA-N
XLogP0.47
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-oxopyrrolidin-1-yl)butanoic acid?
The IUPAC name of (2S)-2-(2-oxopyrrolidin-1-yl)butanoic acid (CID 11607993) is (2S)-2-(2-oxopyrrolidin-1-yl)butanoic acid.
What is the SMILES notation for (2S)-2-(2-oxopyrrolidin-1-yl)butanoic acid?
The canonical SMILES for (2S)-2-(2-oxopyrrolidin-1-yl)butanoic acid is CC[C@@H](C(=O)O)N1CCCC1=O.
What is the InChIKey of (2S)-2-(2-oxopyrrolidin-1-yl)butanoic acid?
The InChIKey is IODGAONBTQRGGG-LURJTMIESA-N. The full InChI is InChI=1S/C8H13NO3/c1-2-6(8(11)12)9-5-3-4-7(9)10/h6H,2-5H2,1H3,(H,11,12)/t6-/m0/s1.
What are the key properties of (2S)-2-(2-oxopyrrolidin-1-yl)butanoic acid?
(2S)-2-(2-oxopyrrolidin-1-yl)butanoic acid has a molecular weight of 171.20 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-oxopyrrolidin-1-yl)butanoic acid is sourced from PubChem (CID 11607993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).