2-[(3R)-3-acetyloxy-2-oxopyrrolidin-1-yl]acetic acid

C8H11NO5 — CID 57077235

IUPAC2-[(3R)-3-acetyloxy-2-oxopyrrolidin-1-yl]acetic acid
SMILESCC(=O)O[C@@H]1CCN(CC(=O)O)C1=O
InChIInChI=1S/C8H11NO5/c1-5(10)14-6-2-3-9(8(6)13)4-7(11)12/h6H,2-4H2,1H3,(H,11,12)/t6-/m1/s1
InChIKeyVFWZDXXRHWKSDV-ZCFIWIBFSA-N
MW201.18 g/mol
LogP-0.76
Rot. Bonds3

About 2-[(3R)-3-acetyloxy-2-oxopyrrolidin-1-yl]acetic acid

2-[(3R)-3-acetyloxy-2-oxopyrrolidin-1-yl]acetic acid (PubChem CID 57077235) has the molecular formula C8H11NO5 and a molecular weight of 201.18 g/mol. Its IUPAC name is 2-[(3R)-3-acetyloxy-2-oxopyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-3-acetyloxy-2-oxopyrrolidin-1-yl]acetic acid
PubChem CID57077235
Molecular FormulaC8H11NO5
Molecular Weight201.18 g/mol
Exact Mass201.06
IUPAC Name2-[(3R)-3-acetyloxy-2-oxopyrrolidin-1-yl]acetic acid
SMILESCC(=O)O[C@@H]1CCN(CC(=O)O)C1=O
InChIInChI=1S/C8H11NO5/c1-5(10)14-6-2-3-9(8(6)13)4-7(11)12/h6H,2-4H2,1H3,(H,11,12)/t6-/m1/s1
InChIKeyVFWZDXXRHWKSDV-ZCFIWIBFSA-N
XLogP-0.76
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-acetyloxy-2-oxopyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-[(3R)-3-acetyloxy-2-oxopyrrolidin-1-yl]acetic acid (CID 57077235) is 2-[(3R)-3-acetyloxy-2-oxopyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-3-acetyloxy-2-oxopyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-[(3R)-3-acetyloxy-2-oxopyrrolidin-1-yl]acetic acid is CC(=O)O[C@@H]1CCN(CC(=O)O)C1=O.
What is the InChIKey of 2-[(3R)-3-acetyloxy-2-oxopyrrolidin-1-yl]acetic acid?
The InChIKey is VFWZDXXRHWKSDV-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H11NO5/c1-5(10)14-6-2-3-9(8(6)13)4-7(11)12/h6H,2-4H2,1H3,(H,11,12)/t6-/m1/s1.
What are the key properties of 2-[(3R)-3-acetyloxy-2-oxopyrrolidin-1-yl]acetic acid?
2-[(3R)-3-acetyloxy-2-oxopyrrolidin-1-yl]acetic acid has a molecular weight of 201.18 g/mol, XLogP of -0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-acetyloxy-2-oxopyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 57077235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).