2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetic acid

C6H9NO4 — CID 19817647

IUPAC2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetic acid
SMILESO=C(O)CN1CCC(O)C1=O
InChIInChI=1S/C6H9NO4/c8-4-1-2-7(6(4)11)3-5(9)10/h4,8H,1-3H2,(H,9,10)
InChIKeyRKAIYYLGFYGDSO-UHFFFAOYSA-N
MW159.14 g/mol
LogP-1.34
Rot. Bonds2

About 2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetic acid

2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetic acid (PubChem CID 19817647) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is 2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetic acid
PubChem CID19817647
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetic acid
SMILESO=C(O)CN1CCC(O)C1=O
InChIInChI=1S/C6H9NO4/c8-4-1-2-7(6(4)11)3-5(9)10/h4,8H,1-3H2,(H,9,10)
InChIKeyRKAIYYLGFYGDSO-UHFFFAOYSA-N
XLogP-1.34
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetic acid?
The IUPAC name of 2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetic acid (CID 19817647) is 2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetic acid.
What is the SMILES notation for 2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetic acid?
The canonical SMILES for 2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetic acid is O=C(O)CN1CCC(O)C1=O.
What is the InChIKey of 2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetic acid?
The InChIKey is RKAIYYLGFYGDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4/c8-4-1-2-7(6(4)11)3-5(9)10/h4,8H,1-3H2,(H,9,10).
What are the key properties of 2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetic acid?
2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetic acid has a molecular weight of 159.14 g/mol, XLogP of -1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2-oxopyrrolidin-1-yl)acetic acid is sourced from PubChem (CID 19817647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).