(2S)-4-(dimethylamino)-2-hydroxybutanal

C6H13NO2 — CID 144793391

IUPAC(2S)-4-(dimethylamino)-2-hydroxybutanal
SMILESCN(C)CC[C@H](O)C=O
InChIInChI=1S/C6H13NO2/c1-7(2)4-3-6(9)5-8/h5-6,9H,3-4H2,1-2H3/t6-/m0/s1
InChIKeyXDNNBLASKGQLJD-LURJTMIESA-N
MW131.18 g/mol
LogP-0.50
Rot. Bonds4

About (2S)-4-(dimethylamino)-2-hydroxybutanal

(2S)-4-(dimethylamino)-2-hydroxybutanal (PubChem CID 144793391) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is (2S)-4-(dimethylamino)-2-hydroxybutanal.

Molecular Properties

Compound Name(2S)-4-(dimethylamino)-2-hydroxybutanal
PubChem CID144793391
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name(2S)-4-(dimethylamino)-2-hydroxybutanal
SMILESCN(C)CC[C@H](O)C=O
InChIInChI=1S/C6H13NO2/c1-7(2)4-3-6(9)5-8/h5-6,9H,3-4H2,1-2H3/t6-/m0/s1
InChIKeyXDNNBLASKGQLJD-LURJTMIESA-N
XLogP-0.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-4-(dimethylamino)butanal
CID 88906028
3-(dimethylamino)propane-1,1-diol;hydrochloride
CID 173336782
3,5-bis(dimethylamino)pentan-2-ol
CID 57282569
1-[4-(dimethylamino)butan-2-yl-methylamino]ethanol
CID 143803190
(2S)-3-fluoro-2-hydroxypropanal
CID 130737258
acetaldehyde;2-hydroxybutanal
CID 126485500
2-hydroxypentanedial;3-methylpentanedial
CID 118362127
2-[2-(diethylamino)ethyl]-6-(dimethylamino)-3-oxohexanal
CID 173417276
(E)-3-[4-(dimethylamino)butan-2-ylamino]prop-2-enoic acid
CID 103246575
(4R)-2,4-dihydroxy-N-methyl-5-oxo-N-propylpentanamide
CID 143155561
5-(dimethylamino)-3-fluoropentan-2-one
CID 139565635
(3R)-5-(dimethylamino)-3-fluoropentan-2-one
CID 139565610

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(dimethylamino)-2-hydroxybutanal?
The IUPAC name of (2S)-4-(dimethylamino)-2-hydroxybutanal (CID 144793391) is (2S)-4-(dimethylamino)-2-hydroxybutanal.
What is the SMILES notation for (2S)-4-(dimethylamino)-2-hydroxybutanal?
The canonical SMILES for (2S)-4-(dimethylamino)-2-hydroxybutanal is CN(C)CC[C@H](O)C=O.
What is the InChIKey of (2S)-4-(dimethylamino)-2-hydroxybutanal?
The InChIKey is XDNNBLASKGQLJD-LURJTMIESA-N. The full InChI is InChI=1S/C6H13NO2/c1-7(2)4-3-6(9)5-8/h5-6,9H,3-4H2,1-2H3/t6-/m0/s1.
What are the key properties of (2S)-4-(dimethylamino)-2-hydroxybutanal?
(2S)-4-(dimethylamino)-2-hydroxybutanal has a molecular weight of 131.18 g/mol, XLogP of -0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(dimethylamino)-2-hydroxybutanal is sourced from PubChem (CID 144793391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).