(2S)-1,2,3,3,4-pentadeuterio-5-oxopyrrolidine-2-carboxylic acid

C5H7NO3 — CID 131698836

IUPAC(2S)-1,2,3,3,4-pentadeuterio-5-oxopyrrolidine-2-carboxylic acid
SMILES[2H]C1C(=O)N([2H])[C@]([2H])(C(=O)O)C1([2H])[2H]
InChIInChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1/i1D2,2D,3D/hD/t2?,3-
InChIKeyODHCTXKNWHHXJC-MIFBWXGCSA-N
MW134.15 g/mol
LogP-0.65
Rot. Bonds1

About (2S)-1,2,3,3,4-pentadeuterio-5-oxopyrrolidine-2-carboxylic acid

(2S)-1,2,3,3,4-pentadeuterio-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 131698836) has the molecular formula C5H7NO3 and a molecular weight of 134.15 g/mol. Its IUPAC name is (2S)-1,2,3,3,4-pentadeuterio-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1,2,3,3,4-pentadeuterio-5-oxopyrrolidine-2-carboxylic acid
PubChem CID131698836
Molecular FormulaC5H7NO3
Molecular Weight134.15 g/mol
Exact Mass134.07
IUPAC Name(2S)-1,2,3,3,4-pentadeuterio-5-oxopyrrolidine-2-carboxylic acid
SMILES[2H]C1C(=O)N([2H])[C@]([2H])(C(=O)O)C1([2H])[2H]
InChIInChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1/i1D2,2D,3D/hD/t2?,3-
InChIKeyODHCTXKNWHHXJC-MIFBWXGCSA-N
XLogP-0.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.15
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,2,3,3,4-pentadeuterio-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1,2,3,3,4-pentadeuterio-5-oxopyrrolidine-2-carboxylic acid (CID 131698836) is (2S)-1,2,3,3,4-pentadeuterio-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1,2,3,3,4-pentadeuterio-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1,2,3,3,4-pentadeuterio-5-oxopyrrolidine-2-carboxylic acid is [2H]C1C(=O)N([2H])[C@]([2H])(C(=O)O)C1([2H])[2H].
What is the InChIKey of (2S)-1,2,3,3,4-pentadeuterio-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is ODHCTXKNWHHXJC-MIFBWXGCSA-N. The full InChI is InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1/i1D2,2D,3D/hD/t2?,3-.
What are the key properties of (2S)-1,2,3,3,4-pentadeuterio-5-oxopyrrolidine-2-carboxylic acid?
(2S)-1,2,3,3,4-pentadeuterio-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 134.15 g/mol, XLogP of -0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,2,3,3,4-pentadeuterio-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 131698836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).