2-(diethylamino)ethyl 3-hydroxy-3-methylbutanoate

C11H23NO3 — CID 91507579

IUPAC2-(diethylamino)ethyl 3-hydroxy-3-methylbutanoate
SMILESCCN(CC)CCOC(=O)CC(C)(C)O
InChIInChI=1S/C11H23NO3/c1-5-12(6-2)7-8-15-10(13)9-11(3,4)14/h14H,5-9H2,1-4H3
InChIKeySNAJQRQAZYELTD-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.03
Rot. Bonds7

About 2-(diethylamino)ethyl 3-hydroxy-3-methylbutanoate

2-(diethylamino)ethyl 3-hydroxy-3-methylbutanoate (PubChem CID 91507579) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 3-hydroxy-3-methylbutanoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 3-hydroxy-3-methylbutanoate
PubChem CID91507579
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2-(diethylamino)ethyl 3-hydroxy-3-methylbutanoate
SMILESCCN(CC)CCOC(=O)CC(C)(C)O
InChIInChI=1S/C11H23NO3/c1-5-12(6-2)7-8-15-10(13)9-11(3,4)14/h14H,5-9H2,1-4H3
InChIKeySNAJQRQAZYELTD-UHFFFAOYSA-N
XLogP1.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(diethylamino)ethyl propanoate;hydrochloride
CID 141390423
2-(diethylamino)ethyl 2-iodo-2-methylpropanoate
CID 162508851
butyl 3-hydroxy-3-methylbutanoate
CID 54482919
2-(diethylamino)ethyl pentanoate
CID 14795466
4-[2-(diethylamino)ethoxy]-2-hydroxy-4-oxobutanoic acid
CID 87383498
2-(diethylamino)ethyl 4-(methylamino)-4-oxobutanoate
CID 142778230
azane;4-[2-(diethylamino)ethoxy]-2-hydroxy-4-oxobutanoic acid
CID 87383497
2-[3-(diethylamino)propyl-(2-dodecanoyloxyethyl)amino]ethyl dodecanoate
CID 87792051
[3-[3-[2-(diethylamino)ethoxy]-3-oxopropoxy]-3-oxopropyl] 2-methylprop-2-enoate
CID 20659271
2-(diethylamino)ethyl butanoate;2,3-dihydroxybutanedioic acid
CID 175053259
chloromethyl 2-(diethylamino)ethyl carbonate
CID 54133141
bis[4-(diethylamino)butyl] propanedioate
CID 156562858

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 3-hydroxy-3-methylbutanoate?
The IUPAC name of 2-(diethylamino)ethyl 3-hydroxy-3-methylbutanoate (CID 91507579) is 2-(diethylamino)ethyl 3-hydroxy-3-methylbutanoate.
What is the SMILES notation for 2-(diethylamino)ethyl 3-hydroxy-3-methylbutanoate?
The canonical SMILES for 2-(diethylamino)ethyl 3-hydroxy-3-methylbutanoate is CCN(CC)CCOC(=O)CC(C)(C)O.
What is the InChIKey of 2-(diethylamino)ethyl 3-hydroxy-3-methylbutanoate?
The InChIKey is SNAJQRQAZYELTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-5-12(6-2)7-8-15-10(13)9-11(3,4)14/h14H,5-9H2,1-4H3.
What are the key properties of 2-(diethylamino)ethyl 3-hydroxy-3-methylbutanoate?
2-(diethylamino)ethyl 3-hydroxy-3-methylbutanoate has a molecular weight of 217.31 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 3-hydroxy-3-methylbutanoate is sourced from PubChem (CID 91507579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).