[1-(dimethylamino)-1-hydroxyethyl] 2-methylpropanoate

C8H17NO3 — CID 153181636

IUPAC[1-(dimethylamino)-1-hydroxyethyl] 2-methylpropanoate
SMILESCC(C)C(=O)OC(C)(O)N(C)C
InChIInChI=1S/C8H17NO3/c1-6(2)7(10)12-8(3,11)9(4)5/h6,11H,1-5H3
InChIKeyWGGYCNQJHAWUNY-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.41
Rot. Bonds3

About [1-(dimethylamino)-1-hydroxyethyl] 2-methylpropanoate

[1-(dimethylamino)-1-hydroxyethyl] 2-methylpropanoate (PubChem CID 153181636) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is [1-(dimethylamino)-1-hydroxyethyl] 2-methylpropanoate.

Molecular Properties

Compound Name[1-(dimethylamino)-1-hydroxyethyl] 2-methylpropanoate
PubChem CID153181636
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name[1-(dimethylamino)-1-hydroxyethyl] 2-methylpropanoate
SMILESCC(C)C(=O)OC(C)(O)N(C)C
InChIInChI=1S/C8H17NO3/c1-6(2)7(10)12-8(3,11)9(4)5/h6,11H,1-5H3
InChIKeyWGGYCNQJHAWUNY-UHFFFAOYSA-N
XLogP0.41
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[3-methyl-2-(2-methylpropanoyloxy)butan-2-yl] 2-methylpropanoate
CID 19901577
(1,1-dihydroxy-2-methylpropyl) 2-methylpropanoate
CID 88512914
3-methylpentan-3-yl 2-methylpropanoate
CID 59491986
dimethylamino 2-methylpropanoate;hydrochloride
CID 90220610
(1-hydroxy-2-methylpropan-2-yl) 2-methylpropanoate
CID 123371841
2,4-dimethylpentan-2-yl 2-methylpropanoate
CID 58385667
2,4-dihydroxyhexan-2-yl 2-methylpropanoate
CID 141043287
2,3,5-trimethylhexan-2-yl 2-methylpropanoate
CID 130218539
2-methylpropyl 2-methyl-2-(2-methylpropanoyloxy)propanoate
CID 153381891
3,5,5-trimethylheptan-3-yl 2-methylpropanoate
CID 126669173
tert-butyl (2S)-2-methyl-3-sulfanylpropanoate
CID 22860483
tert-butyl 2-methylpropaneperoxoate
CID 160633746

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)-1-hydroxyethyl] 2-methylpropanoate?
The IUPAC name of [1-(dimethylamino)-1-hydroxyethyl] 2-methylpropanoate (CID 153181636) is [1-(dimethylamino)-1-hydroxyethyl] 2-methylpropanoate.
What is the SMILES notation for [1-(dimethylamino)-1-hydroxyethyl] 2-methylpropanoate?
The canonical SMILES for [1-(dimethylamino)-1-hydroxyethyl] 2-methylpropanoate is CC(C)C(=O)OC(C)(O)N(C)C.
What is the InChIKey of [1-(dimethylamino)-1-hydroxyethyl] 2-methylpropanoate?
The InChIKey is WGGYCNQJHAWUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-6(2)7(10)12-8(3,11)9(4)5/h6,11H,1-5H3.
What are the key properties of [1-(dimethylamino)-1-hydroxyethyl] 2-methylpropanoate?
[1-(dimethylamino)-1-hydroxyethyl] 2-methylpropanoate has a molecular weight of 175.23 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)-1-hydroxyethyl] 2-methylpropanoate is sourced from PubChem (CID 153181636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).