(2S)-1-aminopyrrolidine-2-carbaldehyde

C5H10N2O — CID 58202179

IUPAC(2S)-1-aminopyrrolidine-2-carbaldehyde
SMILESNN1CCC[C@H]1C=O
InChIInChI=1S/C5H10N2O/c6-7-3-1-2-5(7)4-8/h4-5H,1-3,6H2/t5-/m0/s1
InChIKeyAWLQUKRRXVONDM-YFKPBYRVSA-N
MW114.15 g/mol
LogP-0.48
Rot. Bonds1

About (2S)-1-aminopyrrolidine-2-carbaldehyde

(2S)-1-aminopyrrolidine-2-carbaldehyde (PubChem CID 58202179) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is (2S)-1-aminopyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name(2S)-1-aminopyrrolidine-2-carbaldehyde
PubChem CID58202179
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name(2S)-1-aminopyrrolidine-2-carbaldehyde
SMILESNN1CCC[C@H]1C=O
InChIInChI=1S/C5H10N2O/c6-7-3-1-2-5(7)4-8/h4-5H,1-3,6H2/t5-/m0/s1
InChIKeyAWLQUKRRXVONDM-YFKPBYRVSA-N
XLogP-0.48
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-aminopyrrolidine-2-carbaldehyde?
The IUPAC name of (2S)-1-aminopyrrolidine-2-carbaldehyde (CID 58202179) is (2S)-1-aminopyrrolidine-2-carbaldehyde.
What is the SMILES notation for (2S)-1-aminopyrrolidine-2-carbaldehyde?
The canonical SMILES for (2S)-1-aminopyrrolidine-2-carbaldehyde is NN1CCC[C@H]1C=O.
What is the InChIKey of (2S)-1-aminopyrrolidine-2-carbaldehyde?
The InChIKey is AWLQUKRRXVONDM-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H10N2O/c6-7-3-1-2-5(7)4-8/h4-5H,1-3,6H2/t5-/m0/s1.
What are the key properties of (2S)-1-aminopyrrolidine-2-carbaldehyde?
(2S)-1-aminopyrrolidine-2-carbaldehyde has a molecular weight of 114.15 g/mol, XLogP of -0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-aminopyrrolidine-2-carbaldehyde is sourced from PubChem (CID 58202179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).