(2S)-5-oxo(2,3,4,5-13C4,115N)azolidine-2-carboxylic acid

C5H7NO3 — CID 76973407

IUPAC(2S)-5-oxo(2,3,4,5-13C4,115N)azolidine-2-carboxylic acid
SMILESO=[13C]1[13CH2][13CH2][13C@@H]([13C](=O)O)[15NH]1
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/i1+1,2+1,3+1,4+1,5+1,6+1
InChIKeyODHCTXKNWHHXJC-UFLWJPECSA-N
MW135.07 g/mol
LogP-0.65
Rot. Bonds1

About (2S)-5-oxo(2,3,4,5-13C4,115N)azolidine-2-carboxylic acid

(2S)-5-oxo(2,3,4,5-13C4,115N)azolidine-2-carboxylic acid (PubChem CID 76973407) has the molecular formula C5H7NO3 and a molecular weight of 135.07 g/mol. Its IUPAC name is (2S)-5-oxo(2,3,4,5-13C4,115N)azolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-5-oxo(2,3,4,5-13C4,115N)azolidine-2-carboxylic acid
PubChem CID76973407
Molecular FormulaC5H7NO3
Molecular Weight135.07 g/mol
Exact Mass135.06
IUPAC Name(2S)-5-oxo(2,3,4,5-13C4,115N)azolidine-2-carboxylic acid
SMILESO=[13C]1[13CH2][13CH2][13C@@H]([13C](=O)O)[15NH]1
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/i1+1,2+1,3+1,4+1,5+1,6+1
InChIKeyODHCTXKNWHHXJC-UFLWJPECSA-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 ≤ 500135.07
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-oxo(2,3,4,5-13C4,115N)azolidine-2-carboxylic acid?
The IUPAC name of (2S)-5-oxo(2,3,4,5-13C4,115N)azolidine-2-carboxylic acid (CID 76973407) is (2S)-5-oxo(2,3,4,5-13C4,115N)azolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-5-oxo(2,3,4,5-13C4,115N)azolidine-2-carboxylic acid?
The canonical SMILES for (2S)-5-oxo(2,3,4,5-13C4,115N)azolidine-2-carboxylic acid is O=[13C]1[13CH2][13CH2][13C@@H]([13C](=O)O)[15NH]1.
What is the InChIKey of (2S)-5-oxo(2,3,4,5-13C4,115N)azolidine-2-carboxylic acid?
The InChIKey is ODHCTXKNWHHXJC-UFLWJPECSA-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/i1+1,2+1,3+1,4+1,5+1,6+1.
What are the key properties of (2S)-5-oxo(2,3,4,5-13C4,115N)azolidine-2-carboxylic acid?
(2S)-5-oxo(2,3,4,5-13C4,115N)azolidine-2-carboxylic acid has a molecular weight of 135.07 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)-5-oxo(2,3,4,5-13C4,115N)azolidine-2-carboxylic acid is sourced from PubChem (CID 76973407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).