(2S)-3-hydroxy-2-(methylamino)propanal

C4H9NO2 — CID 18644885

IUPAC(2S)-3-hydroxy-2-(methylamino)propanal
SMILESCN[C@H](C=O)CO
InChIInChI=1S/C4H9NO2/c1-5-4(2-6)3-7/h2,4-5,7H,3H2,1H3/t4-/m1/s1
InChIKeyUNMQNRSKTRZURS-SCSAIBSYSA-N
MW103.12 g/mol
LogP-1.23
Rot. Bonds3

About (2S)-3-hydroxy-2-(methylamino)propanal

(2S)-3-hydroxy-2-(methylamino)propanal (PubChem CID 18644885) has the molecular formula C4H9NO2 and a molecular weight of 103.12 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-(methylamino)propanal.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-(methylamino)propanal
PubChem CID18644885
Molecular FormulaC4H9NO2
Molecular Weight103.12 g/mol
Exact Mass103.06
IUPAC Name(2S)-3-hydroxy-2-(methylamino)propanal
SMILESCN[C@H](C=O)CO
InChIInChI=1S/C4H9NO2/c1-5-4(2-6)3-7/h2,4-5,7H,3H2,1H3/t4-/m1/s1
InChIKeyUNMQNRSKTRZURS-SCSAIBSYSA-N
XLogP-1.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-(methylamino)propanal?
The IUPAC name of (2S)-3-hydroxy-2-(methylamino)propanal (CID 18644885) is (2S)-3-hydroxy-2-(methylamino)propanal.
What is the SMILES notation for (2S)-3-hydroxy-2-(methylamino)propanal?
The canonical SMILES for (2S)-3-hydroxy-2-(methylamino)propanal is CN[C@H](C=O)CO.
What is the InChIKey of (2S)-3-hydroxy-2-(methylamino)propanal?
The InChIKey is UNMQNRSKTRZURS-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H9NO2/c1-5-4(2-6)3-7/h2,4-5,7H,3H2,1H3/t4-/m1/s1.
What are the key properties of (2S)-3-hydroxy-2-(methylamino)propanal?
(2S)-3-hydroxy-2-(methylamino)propanal has a molecular weight of 103.12 g/mol, XLogP of -1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-(methylamino)propanal is sourced from PubChem (CID 18644885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).