2-[(2R)-2-acetyl-5-oxopyrrolidin-1-yl]acetic acid

C8H11NO4 — CID 59945978

IUPAC2-[(2R)-2-acetyl-5-oxopyrrolidin-1-yl]acetic acid
SMILESCC(=O)[C@H]1CCC(=O)N1CC(=O)O
InChIInChI=1S/C8H11NO4/c1-5(10)6-2-3-7(11)9(6)4-8(12)13/h6H,2-4H2,1H3,(H,12,13)/t6-/m1/s1
InChIKeyAOAHGOWYCPXALT-ZCFIWIBFSA-N
MW185.18 g/mol
LogP-0.35
Rot. Bonds3

About 2-[(2R)-2-acetyl-5-oxopyrrolidin-1-yl]acetic acid

2-[(2R)-2-acetyl-5-oxopyrrolidin-1-yl]acetic acid (PubChem CID 59945978) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is 2-[(2R)-2-acetyl-5-oxopyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-2-acetyl-5-oxopyrrolidin-1-yl]acetic acid
PubChem CID59945978
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Name2-[(2R)-2-acetyl-5-oxopyrrolidin-1-yl]acetic acid
SMILESCC(=O)[C@H]1CCC(=O)N1CC(=O)O
InChIInChI=1S/C8H11NO4/c1-5(10)6-2-3-7(11)9(6)4-8(12)13/h6H,2-4H2,1H3,(H,12,13)/t6-/m1/s1
InChIKeyAOAHGOWYCPXALT-ZCFIWIBFSA-N
XLogP-0.35
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S)-2-amino-5-oxopyrrolidin-1-yl]acetic acid
CID 45082281
(2R)-1-ethyl-5-oxopyrrolidine-2-carboxylic acid
CID 59309467
1-ethyl-5-oxopyrrolidine-2-carboxylic acid
CID 19002576
1-(2-amino-2-oxoethyl)-5-oxopyrrolidine-2-carboxamide
CID 3657675
ethyl 1-(2-ethoxy-2-oxoethyl)-5-oxopyrrolidine-2-carboxylate
CID 85231054
1-heptyl-5-oxopyrrolidine-2-carboxylic acid
CID 19002593
5-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-2-carboxylic acid
CID 62874671
CID 157388552
CID 157388552
1-[2-(3-methoxypropylamino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxylic acid
CID 55136075
1-[(4-methylcyclohexyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 103354754
methyl 1-ethyl-5-oxopyrrolidine-2-carboxylate
CID 67459237
methyl 1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxylate
CID 13458635

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-acetyl-5-oxopyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-[(2R)-2-acetyl-5-oxopyrrolidin-1-yl]acetic acid (CID 59945978) is 2-[(2R)-2-acetyl-5-oxopyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-2-acetyl-5-oxopyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-[(2R)-2-acetyl-5-oxopyrrolidin-1-yl]acetic acid is CC(=O)[C@H]1CCC(=O)N1CC(=O)O.
What is the InChIKey of 2-[(2R)-2-acetyl-5-oxopyrrolidin-1-yl]acetic acid?
The InChIKey is AOAHGOWYCPXALT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H11NO4/c1-5(10)6-2-3-7(11)9(6)4-8(12)13/h6H,2-4H2,1H3,(H,12,13)/t6-/m1/s1.
What are the key properties of 2-[(2R)-2-acetyl-5-oxopyrrolidin-1-yl]acetic acid?
2-[(2R)-2-acetyl-5-oxopyrrolidin-1-yl]acetic acid has a molecular weight of 185.18 g/mol, XLogP of -0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-acetyl-5-oxopyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 59945978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).