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

C4H9NO2 — CID 54361606

IUPAC(2R)-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-/m0/s1
InChIKeyUNMQNRSKTRZURS-BYPYZUCNSA-N
MW103.12 g/mol
LogP-1.23
Rot. Bonds3

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

(2R)-3-hydroxy-2-(methylamino)propanal (PubChem CID 54361606) has the molecular formula C4H9NO2 and a molecular weight of 103.12 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-(methylamino)propanal.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-(methylamino)propanal
PubChem CID54361606
Molecular FormulaC4H9NO2
Molecular Weight103.12 g/mol
Exact Mass103.06
IUPAC Name(2R)-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-/m0/s1
InChIKeyUNMQNRSKTRZURS-BYPYZUCNSA-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

Methylserine
CID 7009640
CID 7009639
CID 7009639
N-alpha-Methyl-L-serine hydrochloride (Me-L-Ser-OH.HCl)
CID 56777177
3-Hydroxy-2-(methylamino)propanoic acid
CID 554048
N-Methyl-D-serine
CID 5288119
N-[(2S)-1-hydroxy-3-oxopropan-2-yl]acetamide
CID 54245917
L-Serine, N-ethyl-
CID 12003152
N-(1-hydroxy-3-oxopropan-2-yl)acetamide
CID 14830386
(3S)-4-hydroxy-3-(methylamino)butan-2-one
CID 45085120
(2S)-2-(deuteriomethylamino)-3-hydroxypropanoic acid
CID 129687311
(2R)-2-(butylamino)-3-hydroxypropanoyl fluoride
CID 57086405
(2S)-2-(butylamino)-3-hydroxypropanoyl fluoride
CID 57207146

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-(methylamino)propanal?
The IUPAC name of (2R)-3-hydroxy-2-(methylamino)propanal (CID 54361606) is (2R)-3-hydroxy-2-(methylamino)propanal.
What is the SMILES notation for (2R)-3-hydroxy-2-(methylamino)propanal?
The canonical SMILES for (2R)-3-hydroxy-2-(methylamino)propanal is CN[C@@H](C=O)CO.
What is the InChIKey of (2R)-3-hydroxy-2-(methylamino)propanal?
The InChIKey is UNMQNRSKTRZURS-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H9NO2/c1-5-4(2-6)3-7/h2,4-5,7H,3H2,1H3/t4-/m0/s1.
What are the key properties of (2R)-3-hydroxy-2-(methylamino)propanal?
(2R)-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 (2R)-3-hydroxy-2-(methylamino)propanal is sourced from PubChem (CID 54361606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).