(2S,4S)-4-hydroxy-1-nitrosopyrrolidine-2-carboxylic acid

C5H8N2O4 — CID 11953390

IUPAC(2S,4S)-4-hydroxy-1-nitrosopyrrolidine-2-carboxylic acid
SMILESO=NN1C[C@@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C5H8N2O4/c8-3-1-4(5(9)10)7(2-3)6-11/h3-4,8H,1-2H2,(H,9,10)/t3-,4-/m0/s1
InChIKeyABVBOWJCKJGCJM-IMJSIDKUSA-N
MW160.13 g/mol
LogP-0.81
Rot. Bonds2

About (2S,4S)-4-hydroxy-1-nitrosopyrrolidine-2-carboxylic acid

(2S,4S)-4-hydroxy-1-nitrosopyrrolidine-2-carboxylic acid (PubChem CID 11953390) has the molecular formula C5H8N2O4 and a molecular weight of 160.13 g/mol. Its IUPAC name is (2S,4S)-4-hydroxy-1-nitrosopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-hydroxy-1-nitrosopyrrolidine-2-carboxylic acid
PubChem CID11953390
Molecular FormulaC5H8N2O4
Molecular Weight160.13 g/mol
Exact Mass160.05
IUPAC Name(2S,4S)-4-hydroxy-1-nitrosopyrrolidine-2-carboxylic acid
SMILESO=NN1C[C@@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C5H8N2O4/c8-3-1-4(5(9)10)7(2-3)6-11/h3-4,8H,1-2H2,(H,9,10)/t3-,4-/m0/s1
InChIKeyABVBOWJCKJGCJM-IMJSIDKUSA-N
XLogP-0.81
TPSA90.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.13
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
CID 58820492
(2R,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
CID 58493970
(2S,4S)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 118989202
(2R,4S)-1-carbamoyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 2374396
1-(2,2-dicyclopropylacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 112744938
4-hydroxy-1-[hydroxy(methyl)boranyl]pyrrolidine-2-carboxylic acid
CID 23595314
(2R,4R)-4-hydroxy-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid
CID 79000770
(2S,4R)-1-cyclohexyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 67775431
1-(2-fluoroethyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351489
(2R,4S)-1-[(2S)-2-carboxypyrrolidin-1-yl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 174738513
(2S,4R)-1-(dimethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841662
(2S,4S)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713362

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-hydroxy-1-nitrosopyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-hydroxy-1-nitrosopyrrolidine-2-carboxylic acid (CID 11953390) is (2S,4S)-4-hydroxy-1-nitrosopyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-hydroxy-1-nitrosopyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-hydroxy-1-nitrosopyrrolidine-2-carboxylic acid is O=NN1C[C@@H](O)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4S)-4-hydroxy-1-nitrosopyrrolidine-2-carboxylic acid?
The InChIKey is ABVBOWJCKJGCJM-IMJSIDKUSA-N. The full InChI is InChI=1S/C5H8N2O4/c8-3-1-4(5(9)10)7(2-3)6-11/h3-4,8H,1-2H2,(H,9,10)/t3-,4-/m0/s1.
What are the key properties of (2S,4S)-4-hydroxy-1-nitrosopyrrolidine-2-carboxylic acid?
(2S,4S)-4-hydroxy-1-nitrosopyrrolidine-2-carboxylic acid has a molecular weight of 160.13 g/mol, XLogP of -0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-hydroxy-1-nitrosopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 11953390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).