[3-(tert-butylamino)-2-hydroxypropyl] cyclobutanecarboxylate

C12H23NO3 — CID 14856226

IUPAC[3-(tert-butylamino)-2-hydroxypropyl] cyclobutanecarboxylate
SMILESCC(C)(C)NCC(O)COC(=O)C1CCC1
InChIInChI=1S/C12H23NO3/c1-12(2,3)13-7-10(14)8-16-11(15)9-5-4-6-9/h9-10,13-14H,4-8H2,1-3H3
InChIKeyRXXDIPAKXHEZOH-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.08
Rot. Bonds5

About [3-(tert-butylamino)-2-hydroxypropyl] cyclobutanecarboxylate

[3-(tert-butylamino)-2-hydroxypropyl] cyclobutanecarboxylate (PubChem CID 14856226) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is [3-(tert-butylamino)-2-hydroxypropyl] cyclobutanecarboxylate.

Molecular Properties

Compound Name[3-(tert-butylamino)-2-hydroxypropyl] cyclobutanecarboxylate
PubChem CID14856226
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name[3-(tert-butylamino)-2-hydroxypropyl] cyclobutanecarboxylate
SMILESCC(C)(C)NCC(O)COC(=O)C1CCC1
InChIInChI=1S/C12H23NO3/c1-12(2,3)13-7-10(14)8-16-11(15)9-5-4-6-9/h9-10,13-14H,4-8H2,1-3H3
InChIKeyRXXDIPAKXHEZOH-UHFFFAOYSA-N
XLogP1.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(tert-butylamino)-2-hydroxypropyl] cyclobutanecarboxylate?
The IUPAC name of [3-(tert-butylamino)-2-hydroxypropyl] cyclobutanecarboxylate (CID 14856226) is [3-(tert-butylamino)-2-hydroxypropyl] cyclobutanecarboxylate.
What is the SMILES notation for [3-(tert-butylamino)-2-hydroxypropyl] cyclobutanecarboxylate?
The canonical SMILES for [3-(tert-butylamino)-2-hydroxypropyl] cyclobutanecarboxylate is CC(C)(C)NCC(O)COC(=O)C1CCC1.
What is the InChIKey of [3-(tert-butylamino)-2-hydroxypropyl] cyclobutanecarboxylate?
The InChIKey is RXXDIPAKXHEZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-12(2,3)13-7-10(14)8-16-11(15)9-5-4-6-9/h9-10,13-14H,4-8H2,1-3H3.
What are the key properties of [3-(tert-butylamino)-2-hydroxypropyl] cyclobutanecarboxylate?
[3-(tert-butylamino)-2-hydroxypropyl] cyclobutanecarboxylate has a molecular weight of 229.32 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(tert-butylamino)-2-hydroxypropyl] cyclobutanecarboxylate is sourced from PubChem (CID 14856226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).