2-hydroxy-3-(methylamino)propanal

C4H9NO2 — CID 58181522

IUPAC2-hydroxy-3-(methylamino)propanal
SMILESCNCC(O)C=O
InChIInChI=1S/C4H9NO2/c1-5-2-4(7)3-6/h3-5,7H,2H2,1H3
InChIKeyVCVFUEIWJCAMNA-UHFFFAOYSA-N
MW103.12 g/mol
LogP-1.23
Rot. Bonds3

About 2-hydroxy-3-(methylamino)propanal

2-hydroxy-3-(methylamino)propanal (PubChem CID 58181522) has the molecular formula C4H9NO2 and a molecular weight of 103.12 g/mol. Its IUPAC name is 2-hydroxy-3-(methylamino)propanal.

Molecular Properties

Compound Name2-hydroxy-3-(methylamino)propanal
PubChem CID58181522
Molecular FormulaC4H9NO2
Molecular Weight103.12 g/mol
Exact Mass103.06
IUPAC Name2-hydroxy-3-(methylamino)propanal
SMILESCNCC(O)C=O
InChIInChI=1S/C4H9NO2/c1-5-2-4(7)3-6/h3-5,7H,2H2,1H3
InChIKeyVCVFUEIWJCAMNA-UHFFFAOYSA-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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Related Compounds

3-Amino-2-hydroxy-N-methylpropanamide
CID 76223602
Hydroxyethyloxopropylamine
CID 22439460
Erythro-2-hydroxy-3-ethylaminobutyraldehyde
CID 65985108
3-(Ethylamino)-2-hydroxypropanal;hydrochloride
CID 24182484
3-(Butylamino)-2-hydroxypropanal;hydrochloride
CID 24182485
3-(Dimethylamino)-2-hydroxypropanal
CID 408947
3-(Ethylamino)-2-hydroxypropanal
CID 408949
3-[3-(Dimethylamino)propylamino]-2-hydroxypropanal;hydrate
CID 18401215
N-(2-hydroxy-3-oxopropyl)formamide
CID 19003967
(2-Hydroxy-3-oxopropyl)-trimethylazanium
CID 19089542
3-(2-Aminoethylamino)-2-hydroxypropanal
CID 19778775
N-(2-hydroxy-3-oxopropyl)acetamide
CID 21393673

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(methylamino)propanal?
The IUPAC name of 2-hydroxy-3-(methylamino)propanal (CID 58181522) is 2-hydroxy-3-(methylamino)propanal.
What is the SMILES notation for 2-hydroxy-3-(methylamino)propanal?
The canonical SMILES for 2-hydroxy-3-(methylamino)propanal is CNCC(O)C=O.
What is the InChIKey of 2-hydroxy-3-(methylamino)propanal?
The InChIKey is VCVFUEIWJCAMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2/c1-5-2-4(7)3-6/h3-5,7H,2H2,1H3.
What are the key properties of 2-hydroxy-3-(methylamino)propanal?
2-hydroxy-3-(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 2-hydroxy-3-(methylamino)propanal is sourced from PubChem (CID 58181522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).