(2S)-4-methoxy-2-(methylamino)butanal

C6H13NO2 — CID 145050464

IUPAC(2S)-4-methoxy-2-(methylamino)butanal
SMILESCN[C@H](C=O)CCOC
InChIInChI=1S/C6H13NO2/c1-7-6(5-8)3-4-9-2/h5-7H,3-4H2,1-2H3/t6-/m0/s1
InChIKeySLRGYXJFFXVPMT-LURJTMIESA-N
MW131.18 g/mol
LogP-0.19
Rot. Bonds5

About (2S)-4-methoxy-2-(methylamino)butanal

(2S)-4-methoxy-2-(methylamino)butanal (PubChem CID 145050464) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is (2S)-4-methoxy-2-(methylamino)butanal.

Molecular Properties

Compound Name(2S)-4-methoxy-2-(methylamino)butanal
PubChem CID145050464
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name(2S)-4-methoxy-2-(methylamino)butanal
SMILESCN[C@H](C=O)CCOC
InChIInChI=1S/C6H13NO2/c1-7-6(5-8)3-4-9-2/h5-7H,3-4H2,1-2H3/t6-/m0/s1
InChIKeySLRGYXJFFXVPMT-LURJTMIESA-N
XLogP-0.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-4-methoxy-2-(methylamino)butanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(methylamino)-4-sulfanylbutanal
CID 54280108
N-ethyl-1-methoxy-5-methylhex-4-en-3-amine
CID 79190520
3-ethoxy-2-(methylamino)propanal
CID 162184376
1,3-dimethoxy-N-methylpropan-1-amine
CID 174961293
(3R)-5-methoxy-3-(methylamino)pentan-2-one
CID 130319211
N-(4-methoxy-2-methylbutyl)formamide
CID 91122116
2-amino-5-methoxy-3-sulfanylpentanal
CID 174251334
(2S)-2-(methylamino)-4-oxopentanal
CID 59947269
(2R)-6-azido-2-(methylamino)hexanal
CID 89131166
[4-(methylamino)-5-oxopentyl]urea
CID 123241233
ethane;2-(methylamino)pentanedial;bis(2-(methylamino)propane-1,3-diol)
CID 178167308
ethane;methanamine;N'-[4-(methylamino)-5-oxopentyl]methanimidamide
CID 177242165

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methoxy-2-(methylamino)butanal?
The IUPAC name of (2S)-4-methoxy-2-(methylamino)butanal (CID 145050464) is (2S)-4-methoxy-2-(methylamino)butanal.
What is the SMILES notation for (2S)-4-methoxy-2-(methylamino)butanal?
The canonical SMILES for (2S)-4-methoxy-2-(methylamino)butanal is CN[C@H](C=O)CCOC.
What is the InChIKey of (2S)-4-methoxy-2-(methylamino)butanal?
The InChIKey is SLRGYXJFFXVPMT-LURJTMIESA-N. The full InChI is InChI=1S/C6H13NO2/c1-7-6(5-8)3-4-9-2/h5-7H,3-4H2,1-2H3/t6-/m0/s1.
What are the key properties of (2S)-4-methoxy-2-(methylamino)butanal?
(2S)-4-methoxy-2-(methylamino)butanal has a molecular weight of 131.18 g/mol, XLogP of -0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methoxy-2-(methylamino)butanal is sourced from PubChem (CID 145050464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).