(2R)-2-(aminomethyl)-2-tert-butylpiperidine-1-carboxylic acid

C11H22N2O2 — CID 66593969

IUPAC(2R)-2-(aminomethyl)-2-tert-butylpiperidine-1-carboxylic acid
SMILESCC(C)(C)[C@@]1(CN)CCCCN1C(=O)O
InChIInChI=1S/C11H22N2O2/c1-10(2,3)11(8-12)6-4-5-7-13(11)9(14)15/h4-8,12H2,1-3H3,(H,14,15)/t11-/m0/s1
InChIKeyPAFKTYFLYXOVRS-NSHDSACASA-N
MW214.31 g/mol
LogP1.89
Rot. Bonds1

About (2R)-2-(aminomethyl)-2-tert-butylpiperidine-1-carboxylic acid

(2R)-2-(aminomethyl)-2-tert-butylpiperidine-1-carboxylic acid (PubChem CID 66593969) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (2R)-2-(aminomethyl)-2-tert-butylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-(aminomethyl)-2-tert-butylpiperidine-1-carboxylic acid
PubChem CID66593969
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(2R)-2-(aminomethyl)-2-tert-butylpiperidine-1-carboxylic acid
SMILESCC(C)(C)[C@@]1(CN)CCCCN1C(=O)O
InChIInChI=1S/C11H22N2O2/c1-10(2,3)11(8-12)6-4-5-7-13(11)9(14)15/h4-8,12H2,1-3H3,(H,14,15)/t11-/m0/s1
InChIKeyPAFKTYFLYXOVRS-NSHDSACASA-N
XLogP1.89
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(aminomethyl)-2-tert-butylpiperidine-1-carboxylic acid?
The IUPAC name of (2R)-2-(aminomethyl)-2-tert-butylpiperidine-1-carboxylic acid (CID 66593969) is (2R)-2-(aminomethyl)-2-tert-butylpiperidine-1-carboxylic acid.
What is the SMILES notation for (2R)-2-(aminomethyl)-2-tert-butylpiperidine-1-carboxylic acid?
The canonical SMILES for (2R)-2-(aminomethyl)-2-tert-butylpiperidine-1-carboxylic acid is CC(C)(C)[C@@]1(CN)CCCCN1C(=O)O.
What is the InChIKey of (2R)-2-(aminomethyl)-2-tert-butylpiperidine-1-carboxylic acid?
The InChIKey is PAFKTYFLYXOVRS-NSHDSACASA-N. The full InChI is InChI=1S/C11H22N2O2/c1-10(2,3)11(8-12)6-4-5-7-13(11)9(14)15/h4-8,12H2,1-3H3,(H,14,15)/t11-/m0/s1.
What are the key properties of (2R)-2-(aminomethyl)-2-tert-butylpiperidine-1-carboxylic acid?
(2R)-2-(aminomethyl)-2-tert-butylpiperidine-1-carboxylic acid has a molecular weight of 214.31 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(aminomethyl)-2-tert-butylpiperidine-1-carboxylic acid is sourced from PubChem (CID 66593969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).