2-(tert-butylamino)-2-(oxan-4-yl)acetic acid

C11H21NO3 — CID 59385234

IUPAC2-(tert-butylamino)-2-(oxan-4-yl)acetic acid
SMILESCC(C)(C)NC(C(=O)O)C1CCOCC1
InChIInChI=1S/C11H21NO3/c1-11(2,3)12-9(10(13)14)8-4-6-15-7-5-8/h8-9,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyMVZAOJYDHHBDBM-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.25
Rot. Bonds3

About 2-(tert-butylamino)-2-(oxan-4-yl)acetic acid

2-(tert-butylamino)-2-(oxan-4-yl)acetic acid (PubChem CID 59385234) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-(tert-butylamino)-2-(oxan-4-yl)acetic acid.

Molecular Properties

Compound Name2-(tert-butylamino)-2-(oxan-4-yl)acetic acid
PubChem CID59385234
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-(tert-butylamino)-2-(oxan-4-yl)acetic acid
SMILESCC(C)(C)NC(C(=O)O)C1CCOCC1
InChIInChI=1S/C11H21NO3/c1-11(2,3)12-9(10(13)14)8-4-6-15-7-5-8/h8-9,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyMVZAOJYDHHBDBM-UHFFFAOYSA-N
XLogP1.25
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-2-(oxan-4-yl)acetic acid?
The IUPAC name of 2-(tert-butylamino)-2-(oxan-4-yl)acetic acid (CID 59385234) is 2-(tert-butylamino)-2-(oxan-4-yl)acetic acid.
What is the SMILES notation for 2-(tert-butylamino)-2-(oxan-4-yl)acetic acid?
The canonical SMILES for 2-(tert-butylamino)-2-(oxan-4-yl)acetic acid is CC(C)(C)NC(C(=O)O)C1CCOCC1.
What is the InChIKey of 2-(tert-butylamino)-2-(oxan-4-yl)acetic acid?
The InChIKey is MVZAOJYDHHBDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-11(2,3)12-9(10(13)14)8-4-6-15-7-5-8/h8-9,12H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2-(tert-butylamino)-2-(oxan-4-yl)acetic acid?
2-(tert-butylamino)-2-(oxan-4-yl)acetic acid has a molecular weight of 215.29 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-2-(oxan-4-yl)acetic acid is sourced from PubChem (CID 59385234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).