ethyl 5-[2-(tert-butylamino)-1-hydroxyethyl]-2-hydroxybenzoate

C15H23NO4 — CID 139755543

IUPACethyl 5-[2-(tert-butylamino)-1-hydroxyethyl]-2-hydroxybenzoate
SMILESCCOC(=O)c1cc(C(O)CNC(C)(C)C)ccc1O
InChIInChI=1S/C15H23NO4/c1-5-20-14(19)11-8-10(6-7-12(11)17)13(18)9-16-15(2,3)4/h6-8,13,16-18H,5,9H2,1-4H3
InChIKeyAXDRRGDPJHIBMB-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.99
Rot. Bonds5

About ethyl 5-[2-(tert-butylamino)-1-hydroxyethyl]-2-hydroxybenzoate

ethyl 5-[2-(tert-butylamino)-1-hydroxyethyl]-2-hydroxybenzoate (PubChem CID 139755543) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is ethyl 5-[2-(tert-butylamino)-1-hydroxyethyl]-2-hydroxybenzoate.

Molecular Properties

Compound Nameethyl 5-[2-(tert-butylamino)-1-hydroxyethyl]-2-hydroxybenzoate
PubChem CID139755543
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Nameethyl 5-[2-(tert-butylamino)-1-hydroxyethyl]-2-hydroxybenzoate
SMILESCCOC(=O)c1cc(C(O)CNC(C)(C)C)ccc1O
InChIInChI=1S/C15H23NO4/c1-5-20-14(19)11-8-10(6-7-12(11)17)13(18)9-16-15(2,3)4/h6-8,13,16-18H,5,9H2,1-4H3
InChIKeyAXDRRGDPJHIBMB-UHFFFAOYSA-N
XLogP1.99
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-(tert-butylamino)-1-hydroxyethyl]-2-hydroxybenzoate?
The IUPAC name of ethyl 5-[2-(tert-butylamino)-1-hydroxyethyl]-2-hydroxybenzoate (CID 139755543) is ethyl 5-[2-(tert-butylamino)-1-hydroxyethyl]-2-hydroxybenzoate.
What is the SMILES notation for ethyl 5-[2-(tert-butylamino)-1-hydroxyethyl]-2-hydroxybenzoate?
The canonical SMILES for ethyl 5-[2-(tert-butylamino)-1-hydroxyethyl]-2-hydroxybenzoate is CCOC(=O)c1cc(C(O)CNC(C)(C)C)ccc1O.
What is the InChIKey of ethyl 5-[2-(tert-butylamino)-1-hydroxyethyl]-2-hydroxybenzoate?
The InChIKey is AXDRRGDPJHIBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-5-20-14(19)11-8-10(6-7-12(11)17)13(18)9-16-15(2,3)4/h6-8,13,16-18H,5,9H2,1-4H3.
What are the key properties of ethyl 5-[2-(tert-butylamino)-1-hydroxyethyl]-2-hydroxybenzoate?
ethyl 5-[2-(tert-butylamino)-1-hydroxyethyl]-2-hydroxybenzoate has a molecular weight of 281.35 g/mol, XLogP of 1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-(tert-butylamino)-1-hydroxyethyl]-2-hydroxybenzoate is sourced from PubChem (CID 139755543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).