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

C5H8N2O3 — CID 56614584

IUPAC(2S)-1-amino-5-oxopyrrolidine-2-carboxylic acid
SMILESNN1C(=O)CC[C@H]1C(=O)O
InChIInChI=1S/C5H8N2O3/c6-7-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,9,10)/t3-/m0/s1
InChIKeyOGQWROLDIFPQJD-VKHMYHEASA-N
MW144.13 g/mol
LogP-1.06
Rot. Bonds1

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

(2S)-1-amino-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 56614584) has the molecular formula C5H8N2O3 and a molecular weight of 144.13 g/mol. Its IUPAC name is (2S)-1-amino-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-amino-5-oxopyrrolidine-2-carboxylic acid
PubChem CID56614584
Molecular FormulaC5H8N2O3
Molecular Weight144.13 g/mol
Exact Mass144.05
IUPAC Name(2S)-1-amino-5-oxopyrrolidine-2-carboxylic acid
SMILESNN1C(=O)CC[C@H]1C(=O)O
InChIInChI=1S/C5H8N2O3/c6-7-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,9,10)/t3-/m0/s1
InChIKeyOGQWROLDIFPQJD-VKHMYHEASA-N
XLogP-1.06
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-amino-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-amino-5-oxopyrrolidine-2-carboxylic acid (CID 56614584) is (2S)-1-amino-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-amino-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-amino-5-oxopyrrolidine-2-carboxylic acid is NN1C(=O)CC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-amino-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is OGQWROLDIFPQJD-VKHMYHEASA-N. The full InChI is InChI=1S/C5H8N2O3/c6-7-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,9,10)/t3-/m0/s1.
What are the key properties of (2S)-1-amino-5-oxopyrrolidine-2-carboxylic acid?
(2S)-1-amino-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 144.13 g/mol, XLogP of -1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-amino-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 56614584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).