methyl 2-(dibutylamino)-2-hydroxyacetate

C11H23NO3 — CID 139781491

IUPACmethyl 2-(dibutylamino)-2-hydroxyacetate
SMILESCCCCN(CCCC)C(O)C(=O)OC
InChIInChI=1S/C11H23NO3/c1-4-6-8-12(9-7-5-2)10(13)11(14)15-3/h10,13H,4-9H2,1-3H3
InChIKeyIRISGSILRWIUJX-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.38
Rot. Bonds8

About methyl 2-(dibutylamino)-2-hydroxyacetate

methyl 2-(dibutylamino)-2-hydroxyacetate (PubChem CID 139781491) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is methyl 2-(dibutylamino)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(dibutylamino)-2-hydroxyacetate
PubChem CID139781491
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Namemethyl 2-(dibutylamino)-2-hydroxyacetate
SMILESCCCCN(CCCC)C(O)C(=O)OC
InChIInChI=1S/C11H23NO3/c1-4-6-8-12(9-7-5-2)10(13)11(14)15-3/h10,13H,4-9H2,1-3H3
InChIKeyIRISGSILRWIUJX-UHFFFAOYSA-N
XLogP1.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.38
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

methyl 2-amino-4-(dibutylamino)butanoate
CID 63028607
methyl 4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoate
CID 63054156
methyl 2-(dibutylamino)-2-(4-methoxyphenyl)acetate
CID 169443554
methyl 2-amino-4-[pentyl(propan-2-yl)amino]butanoate
CID 63055182
methyl (2S)-2-hydroxyheptanoate
CID 71444954
methyl (2S,3R)-2,3-dihydroxydodecanoate
CID 11806949
methyl (2S,3R)-2,3-dihydroxyhexadecanoate
CID 101007980
N,N-dibutylbutan-1-amine;methyl hydrogen carbonate
CID 175024513
methyl N-butyl-N-hydroxycarbamate
CID 87729012
methyl (2S)-2-[methyl(pentyl)amino]propanoate
CID 21097433
methyl 2-(2,2-dimethylhydrazinyl)hexanoate
CID 103260976
methyl (2R,3R)-3-hydroxy-2-methylsulfanylheptanoate
CID 14897974

Frequently Asked Questions

What is the IUPAC name of methyl 2-(dibutylamino)-2-hydroxyacetate?
The IUPAC name of methyl 2-(dibutylamino)-2-hydroxyacetate (CID 139781491) is methyl 2-(dibutylamino)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(dibutylamino)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(dibutylamino)-2-hydroxyacetate is CCCCN(CCCC)C(O)C(=O)OC.
What is the InChIKey of methyl 2-(dibutylamino)-2-hydroxyacetate?
The InChIKey is IRISGSILRWIUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-4-6-8-12(9-7-5-2)10(13)11(14)15-3/h10,13H,4-9H2,1-3H3.
What are the key properties of methyl 2-(dibutylamino)-2-hydroxyacetate?
methyl 2-(dibutylamino)-2-hydroxyacetate has a molecular weight of 217.31 g/mol, XLogP of 1.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dibutylamino)-2-hydroxyacetate is sourced from PubChem (CID 139781491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).