ethyl 2-[(dibutylamino)methyl]-3-hydroxypropanoate

C14H29NO3 — CID 139722070

IUPACethyl 2-[(dibutylamino)methyl]-3-hydroxypropanoate
SMILESCCCCN(CCCC)CC(CO)C(=O)OCC
InChIInChI=1S/C14H29NO3/c1-4-7-9-15(10-8-5-2)11-13(12-16)14(17)18-6-3/h13,16H,4-12H2,1-3H3
InChIKeyJVUGVHGVGSGKAQ-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.06
Rot. Bonds11

About ethyl 2-[(dibutylamino)methyl]-3-hydroxypropanoate

ethyl 2-[(dibutylamino)methyl]-3-hydroxypropanoate (PubChem CID 139722070) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is ethyl 2-[(dibutylamino)methyl]-3-hydroxypropanoate.

Molecular Properties

Compound Nameethyl 2-[(dibutylamino)methyl]-3-hydroxypropanoate
PubChem CID139722070
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Nameethyl 2-[(dibutylamino)methyl]-3-hydroxypropanoate
SMILESCCCCN(CCCC)CC(CO)C(=O)OCC
InChIInChI=1S/C14H29NO3/c1-4-7-9-15(10-8-5-2)11-13(12-16)14(17)18-6-3/h13,16H,4-12H2,1-3H3
InChIKeyJVUGVHGVGSGKAQ-UHFFFAOYSA-N
XLogP2.06
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(dibutylamino)methyl]-3-hydroxypropanoate?
The IUPAC name of ethyl 2-[(dibutylamino)methyl]-3-hydroxypropanoate (CID 139722070) is ethyl 2-[(dibutylamino)methyl]-3-hydroxypropanoate.
What is the SMILES notation for ethyl 2-[(dibutylamino)methyl]-3-hydroxypropanoate?
The canonical SMILES for ethyl 2-[(dibutylamino)methyl]-3-hydroxypropanoate is CCCCN(CCCC)CC(CO)C(=O)OCC.
What is the InChIKey of ethyl 2-[(dibutylamino)methyl]-3-hydroxypropanoate?
The InChIKey is JVUGVHGVGSGKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-4-7-9-15(10-8-5-2)11-13(12-16)14(17)18-6-3/h13,16H,4-12H2,1-3H3.
What are the key properties of ethyl 2-[(dibutylamino)methyl]-3-hydroxypropanoate?
ethyl 2-[(dibutylamino)methyl]-3-hydroxypropanoate has a molecular weight of 259.39 g/mol, XLogP of 2.06, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(dibutylamino)methyl]-3-hydroxypropanoate is sourced from PubChem (CID 139722070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).