1-nitrosopyrrolidine-2-carboxylic acid

C5H8N2O3 — CID 24141

IUPAC1-nitrosopyrrolidine-2-carboxylic acid
SMILESO=NN1CCCC1C(=O)O
InChIInChI=1S/C5H8N2O3/c8-5(9)4-2-1-3-7(4)6-10/h4H,1-3H2,(H,8,9)
InChIKeyWLKPHJWEIIAIFW-UHFFFAOYSA-N
MW144.13 g/mol
LogP0.22
Rot. Bonds2

About 1-nitrosopyrrolidine-2-carboxylic acid

1-nitrosopyrrolidine-2-carboxylic acid (PubChem CID 24141) has the molecular formula C5H8N2O3 and a molecular weight of 144.13 g/mol. Its IUPAC name is 1-nitrosopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-nitrosopyrrolidine-2-carboxylic acid
PubChem CID24141
Molecular FormulaC5H8N2O3
Molecular Weight144.13 g/mol
Exact Mass144.05
IUPAC Name1-nitrosopyrrolidine-2-carboxylic acid
SMILESO=NN1CCCC1C(=O)O
InChIInChI=1S/C5H8N2O3/c8-5(9)4-2-1-3-7(4)6-10/h4H,1-3H2,(H,8,9)
InChIKeyWLKPHJWEIIAIFW-UHFFFAOYSA-N
XLogP0.22
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}

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Related Compounds

N-Methyl-L-proline
CID 643474
N-Nitroso-L-proline
CID 10419304
N,N-Dimethylproline
CID 448301
1-Aminopyrrolidine-2-carboxylic acid
CID 273022
N-Nitrosohydroxyproline
CID 61873
1-Methylpyrrolidine-2-carboxylic acid
CID 557
DL-1-Hydroxyproline
CID 269023
(2R)-1-methylpyrrolidine-2-carboxylic acid
CID 854034
1-Nitro-L-proline
CID 21117267
D-Proline, 1-amino-
CID 2737005
N-Hydroxy-L-proline
CID 22795248
2-Carboxy-4-hydroxy-nitroso-pyrrolidine
CID 269021

Frequently Asked Questions

What is the IUPAC name of 1-nitrosopyrrolidine-2-carboxylic acid?
The IUPAC name of 1-nitrosopyrrolidine-2-carboxylic acid (CID 24141) is 1-nitrosopyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-nitrosopyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-nitrosopyrrolidine-2-carboxylic acid is O=NN1CCCC1C(=O)O.
What is the InChIKey of 1-nitrosopyrrolidine-2-carboxylic acid?
The InChIKey is WLKPHJWEIIAIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3/c8-5(9)4-2-1-3-7(4)6-10/h4H,1-3H2,(H,8,9).
What are the key properties of 1-nitrosopyrrolidine-2-carboxylic acid?
1-nitrosopyrrolidine-2-carboxylic acid has a molecular weight of 144.13 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitrosopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 24141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).