(2S)-1-acetyl-5-oxopyrrolidine-2-carboxylic acid

C7H9NO4 — CID 12735676

IUPAC(2S)-1-acetyl-5-oxopyrrolidine-2-carboxylic acid
SMILESCC(=O)N1C(=O)CC[C@H]1C(=O)O
InChIInChI=1S/C7H9NO4/c1-4(9)8-5(7(11)12)2-3-6(8)10/h5H,2-3H2,1H3,(H,11,12)/t5-/m0/s1
InChIKeyAYNBBSMJRSAAHP-YFKPBYRVSA-N
MW171.15 g/mol
LogP-0.39
Rot. Bonds1

About (2S)-1-acetyl-5-oxopyrrolidine-2-carboxylic acid

(2S)-1-acetyl-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 12735676) has the molecular formula C7H9NO4 and a molecular weight of 171.15 g/mol. Its IUPAC name is (2S)-1-acetyl-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-acetyl-5-oxopyrrolidine-2-carboxylic acid
PubChem CID12735676
Molecular FormulaC7H9NO4
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Name(2S)-1-acetyl-5-oxopyrrolidine-2-carboxylic acid
SMILESCC(=O)N1C(=O)CC[C@H]1C(=O)O
InChIInChI=1S/C7H9NO4/c1-4(9)8-5(7(11)12)2-3-6(8)10/h5H,2-3H2,1H3,(H,11,12)/t5-/m0/s1
InChIKeyAYNBBSMJRSAAHP-YFKPBYRVSA-N
XLogP-0.39
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-acetyl-5-oxopyrrolidine-2-carboxylic acid (CID 12735676) is (2S)-1-acetyl-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-acetyl-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-acetyl-5-oxopyrrolidine-2-carboxylic acid is CC(=O)N1C(=O)CC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-acetyl-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is AYNBBSMJRSAAHP-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H9NO4/c1-4(9)8-5(7(11)12)2-3-6(8)10/h5H,2-3H2,1H3,(H,11,12)/t5-/m0/s1.
What are the key properties of (2S)-1-acetyl-5-oxopyrrolidine-2-carboxylic acid?
(2S)-1-acetyl-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 171.15 g/mol, XLogP of -0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 12735676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).