(2S)-4-hydroxy-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbaldehyde

C10H16N2O3 — CID 22859484

IUPAC(2S)-4-hydroxy-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbaldehyde
SMILESO=C[C@@H]1CC(O)CN1C(=O)[C@@H]1CCCN1
InChIInChI=1S/C10H16N2O3/c13-6-7-4-8(14)5-12(7)10(15)9-2-1-3-11-9/h6-9,11,14H,1-5H2/t7-,8?,9-/m0/s1
InChIKeyPUQQKUAHILYHOM-SMOXQLQSSA-N
MW212.25 g/mol
LogP-1.10
Rot. Bonds2

About (2S)-4-hydroxy-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbaldehyde

(2S)-4-hydroxy-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbaldehyde (PubChem CID 22859484) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is (2S)-4-hydroxy-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name(2S)-4-hydroxy-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbaldehyde
PubChem CID22859484
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name(2S)-4-hydroxy-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbaldehyde
SMILESO=C[C@@H]1CC(O)CN1C(=O)[C@@H]1CCCN1
InChIInChI=1S/C10H16N2O3/c13-6-7-4-8(14)5-12(7)10(15)9-2-1-3-11-9/h6-9,11,14H,1-5H2/t7-,8?,9-/m0/s1
InChIKeyPUQQKUAHILYHOM-SMOXQLQSSA-N
XLogP-1.10
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-4-hydroxy-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbaldehyde
CID 57307705
(2S,4R)-4-hydroxy-1-(piperidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 63844034
(2S)-1-[(2S)-piperidine-2-carbonyl]pyrrolidine-2-carbaldehyde
CID 22880971
(2S,4R)-2-formyl-4-hydroxypyrrolidine-1-carboxylic acid
CID 87590455
N-[[1-[(2S)-1-[(2S,4R)-2-formyl-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]triazolidin-4-yl]methyl]piperidine-2-carboxamide
CID 167092099
[(2S)-pyrrolidin-2-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 104939658
(3-hydroxyazetidin-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 107217589
(3-hydroxyazetidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 107217621
(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)-pyrrolidin-2-ylmethanone
CID 121202172
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 102780530
6-azabicyclo[3.2.0]heptan-6-yl(pyrrolidin-2-yl)methanone;hydrochloride
CID 130677988
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 103840926

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbaldehyde?
The IUPAC name of (2S)-4-hydroxy-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbaldehyde (CID 22859484) is (2S)-4-hydroxy-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbaldehyde.
What is the SMILES notation for (2S)-4-hydroxy-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbaldehyde?
The canonical SMILES for (2S)-4-hydroxy-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbaldehyde is O=C[C@@H]1CC(O)CN1C(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-4-hydroxy-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbaldehyde?
The InChIKey is PUQQKUAHILYHOM-SMOXQLQSSA-N. The full InChI is InChI=1S/C10H16N2O3/c13-6-7-4-8(14)5-12(7)10(15)9-2-1-3-11-9/h6-9,11,14H,1-5H2/t7-,8?,9-/m0/s1.
What are the key properties of (2S)-4-hydroxy-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbaldehyde?
(2S)-4-hydroxy-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbaldehyde has a molecular weight of 212.25 g/mol, XLogP of -1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbaldehyde is sourced from PubChem (CID 22859484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).