4-amino-1-tert-butylpiperidine-4-carboxylic acid

C10H20N2O2 — CID 3795449

IUPAC4-amino-1-tert-butylpiperidine-4-carboxylic acid
SMILESCC(C)(C)N1CCC(N)(C(=O)O)CC1
InChIInChI=1S/C10H20N2O2/c1-9(2,3)12-6-4-10(11,5-7-12)8(13)14/h4-7,11H2,1-3H3,(H,13,14)
InChIKeyACOQIZKIZMKZJQ-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.66
Rot. Bonds1

About 4-amino-1-tert-butylpiperidine-4-carboxylic acid

4-amino-1-tert-butylpiperidine-4-carboxylic acid (PubChem CID 3795449) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-amino-1-tert-butylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-tert-butylpiperidine-4-carboxylic acid
PubChem CID3795449
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name4-amino-1-tert-butylpiperidine-4-carboxylic acid
SMILESCC(C)(C)N1CCC(N)(C(=O)O)CC1
InChIInChI=1S/C10H20N2O2/c1-9(2,3)12-6-4-10(11,5-7-12)8(13)14/h4-7,11H2,1-3H3,(H,13,14)
InChIKeyACOQIZKIZMKZJQ-UHFFFAOYSA-N
XLogP0.66
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-tert-butylpiperidine-4-carboxylic acid?
The IUPAC name of 4-amino-1-tert-butylpiperidine-4-carboxylic acid (CID 3795449) is 4-amino-1-tert-butylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-amino-1-tert-butylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-amino-1-tert-butylpiperidine-4-carboxylic acid is CC(C)(C)N1CCC(N)(C(=O)O)CC1.
What is the InChIKey of 4-amino-1-tert-butylpiperidine-4-carboxylic acid?
The InChIKey is ACOQIZKIZMKZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-9(2,3)12-6-4-10(11,5-7-12)8(13)14/h4-7,11H2,1-3H3,(H,13,14).
What are the key properties of 4-amino-1-tert-butylpiperidine-4-carboxylic acid?
4-amino-1-tert-butylpiperidine-4-carboxylic acid has a molecular weight of 200.28 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-tert-butylpiperidine-4-carboxylic acid is sourced from PubChem (CID 3795449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).