2-(tert-butylamino)-2-piperidin-3-ylacetic acid

C11H22N2O2 — CID 59385201

IUPAC2-(tert-butylamino)-2-piperidin-3-ylacetic acid
SMILESCC(C)(C)NC(C(=O)O)C1CCCNC1
InChIInChI=1S/C11H22N2O2/c1-11(2,3)13-9(10(14)15)8-5-4-6-12-7-8/h8-9,12-13H,4-7H2,1-3H3,(H,14,15)
InChIKeyYXNNWTTVQDGUNY-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.83
Rot. Bonds3

About 2-(tert-butylamino)-2-piperidin-3-ylacetic acid

2-(tert-butylamino)-2-piperidin-3-ylacetic acid (PubChem CID 59385201) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(tert-butylamino)-2-piperidin-3-ylacetic acid.

Molecular Properties

Compound Name2-(tert-butylamino)-2-piperidin-3-ylacetic acid
PubChem CID59385201
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-(tert-butylamino)-2-piperidin-3-ylacetic acid
SMILESCC(C)(C)NC(C(=O)O)C1CCCNC1
InChIInChI=1S/C11H22N2O2/c1-11(2,3)13-9(10(14)15)8-5-4-6-12-7-8/h8-9,12-13H,4-7H2,1-3H3,(H,14,15)
InChIKeyYXNNWTTVQDGUNY-UHFFFAOYSA-N
XLogP0.83
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-2-piperidin-3-ylacetic acid?
The IUPAC name of 2-(tert-butylamino)-2-piperidin-3-ylacetic acid (CID 59385201) is 2-(tert-butylamino)-2-piperidin-3-ylacetic acid.
What is the SMILES notation for 2-(tert-butylamino)-2-piperidin-3-ylacetic acid?
The canonical SMILES for 2-(tert-butylamino)-2-piperidin-3-ylacetic acid is CC(C)(C)NC(C(=O)O)C1CCCNC1.
What is the InChIKey of 2-(tert-butylamino)-2-piperidin-3-ylacetic acid?
The InChIKey is YXNNWTTVQDGUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(2,3)13-9(10(14)15)8-5-4-6-12-7-8/h8-9,12-13H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 2-(tert-butylamino)-2-piperidin-3-ylacetic acid?
2-(tert-butylamino)-2-piperidin-3-ylacetic acid has a molecular weight of 214.31 g/mol, XLogP of 0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-2-piperidin-3-ylacetic acid is sourced from PubChem (CID 59385201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).