(2S)-2-(ethoxyamino)propanal

C5H11NO2 — CID 173309058

IUPAC(2S)-2-(ethoxyamino)propanal
SMILESCCON[C@@H](C)C=O
InChIInChI=1S/C5H11NO2/c1-3-8-6-5(2)4-7/h4-6H,3H2,1-2H3/t5-/m0/s1
InChIKeyYQUWTDJSFGMCTP-YFKPBYRVSA-N
MW117.15 g/mol
LogP0.11
Rot. Bonds4

About (2S)-2-(ethoxyamino)propanal

(2S)-2-(ethoxyamino)propanal (PubChem CID 173309058) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is (2S)-2-(ethoxyamino)propanal.

Molecular Properties

Compound Name(2S)-2-(ethoxyamino)propanal
PubChem CID173309058
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name(2S)-2-(ethoxyamino)propanal
SMILESCCON[C@@H](C)C=O
InChIInChI=1S/C5H11NO2/c1-3-8-6-5(2)4-7/h4-6H,3H2,1-2H3/t5-/m0/s1
InChIKeyYQUWTDJSFGMCTP-YFKPBYRVSA-N
XLogP0.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(ethoxyamino)propanal?
The IUPAC name of (2S)-2-(ethoxyamino)propanal (CID 173309058) is (2S)-2-(ethoxyamino)propanal.
What is the SMILES notation for (2S)-2-(ethoxyamino)propanal?
The canonical SMILES for (2S)-2-(ethoxyamino)propanal is CCON[C@@H](C)C=O.
What is the InChIKey of (2S)-2-(ethoxyamino)propanal?
The InChIKey is YQUWTDJSFGMCTP-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H11NO2/c1-3-8-6-5(2)4-7/h4-6H,3H2,1-2H3/t5-/m0/s1.
What are the key properties of (2S)-2-(ethoxyamino)propanal?
(2S)-2-(ethoxyamino)propanal has a molecular weight of 117.15 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(ethoxyamino)propanal is sourced from PubChem (CID 173309058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).