4-(aminomethyl)-2-tert-butyl-3-hydroxy-2-iodopiperidine-1-carboxylic acid

C11H21IN2O3 — CID 66820432

IUPAC4-(aminomethyl)-2-tert-butyl-3-hydroxy-2-iodopiperidine-1-carboxylic acid
SMILESCC(C)(C)C1(I)C(O)C(CN)CCN1C(=O)O
InChIInChI=1S/C11H21IN2O3/c1-10(2,3)11(12)8(15)7(6-13)4-5-14(11)9(16)17/h7-8,15H,4-6,13H2,1-3H3,(H,16,17)
InChIKeyHWMTVOSALVTURT-UHFFFAOYSA-N
MW356.20 g/mol
LogP1.48
Rot. Bonds1

About 4-(aminomethyl)-2-tert-butyl-3-hydroxy-2-iodopiperidine-1-carboxylic acid

4-(aminomethyl)-2-tert-butyl-3-hydroxy-2-iodopiperidine-1-carboxylic acid (PubChem CID 66820432) has the molecular formula C11H21IN2O3 and a molecular weight of 356.20 g/mol. Its IUPAC name is 4-(aminomethyl)-2-tert-butyl-3-hydroxy-2-iodopiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(aminomethyl)-2-tert-butyl-3-hydroxy-2-iodopiperidine-1-carboxylic acid
PubChem CID66820432
Molecular FormulaC11H21IN2O3
Molecular Weight356.20 g/mol
Exact Mass356.06
IUPAC Name4-(aminomethyl)-2-tert-butyl-3-hydroxy-2-iodopiperidine-1-carboxylic acid
SMILESCC(C)(C)C1(I)C(O)C(CN)CCN1C(=O)O
InChIInChI=1S/C11H21IN2O3/c1-10(2,3)11(12)8(15)7(6-13)4-5-14(11)9(16)17/h7-8,15H,4-6,13H2,1-3H3,(H,16,17)
InChIKeyHWMTVOSALVTURT-UHFFFAOYSA-N
XLogP1.48
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.20
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-2-tert-butyl-3-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
CID 66758216
(2R)-2-(aminomethyl)-2-tert-butylpiperidine-1-carboxylic acid
CID 66593969
(3R)-3-(aminomethyl)-1-tert-butylpyrrolidine-2-carboxylic acid
CID 66578004
(3R,4R)-4-(aminomethyl)-3-methylpiperidine-1-carboxylic acid
CID 70462326
4-(aminomethyl)-2-tert-butyl-3-methoxypiperidine-1-carboxylic acid
CID 66820004
2-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylic acid
CID 77277312
2-(bromomethyl)-2-tert-butylpiperidine-1-carboxylic acid
CID 172844672
(2R,4R)-2-tert-butyl-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
CID 69059096
2-tert-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid
CID 166651726
(2S)-2-tert-butyl-3-hydroxypyrrolidine-1-carboxylic acid
CID 66906808
(2R,3R)-2-tert-butyl-2-(hydroxymethyl)-3-(4-hydroxyphenyl)pyrrolidine-1-carboxylic acid
CID 141395897
2-tert-butyl-2-iodopiperazine-1-carboxylic acid
CID 67738141

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-tert-butyl-3-hydroxy-2-iodopiperidine-1-carboxylic acid?
The IUPAC name of 4-(aminomethyl)-2-tert-butyl-3-hydroxy-2-iodopiperidine-1-carboxylic acid (CID 66820432) is 4-(aminomethyl)-2-tert-butyl-3-hydroxy-2-iodopiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(aminomethyl)-2-tert-butyl-3-hydroxy-2-iodopiperidine-1-carboxylic acid?
The canonical SMILES for 4-(aminomethyl)-2-tert-butyl-3-hydroxy-2-iodopiperidine-1-carboxylic acid is CC(C)(C)C1(I)C(O)C(CN)CCN1C(=O)O.
What is the InChIKey of 4-(aminomethyl)-2-tert-butyl-3-hydroxy-2-iodopiperidine-1-carboxylic acid?
The InChIKey is HWMTVOSALVTURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21IN2O3/c1-10(2,3)11(12)8(15)7(6-13)4-5-14(11)9(16)17/h7-8,15H,4-6,13H2,1-3H3,(H,16,17).
What are the key properties of 4-(aminomethyl)-2-tert-butyl-3-hydroxy-2-iodopiperidine-1-carboxylic acid?
4-(aminomethyl)-2-tert-butyl-3-hydroxy-2-iodopiperidine-1-carboxylic acid has a molecular weight of 356.20 g/mol, XLogP of 1.48, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-tert-butyl-3-hydroxy-2-iodopiperidine-1-carboxylic acid is sourced from PubChem (CID 66820432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).