tert-butyl (3S)-3-amino-3-(hydroxymethyl)piperidine-1-carboxylate

C11H22N2O3 — CID 96892899

IUPACtert-butyl (3S)-3-amino-3-(hydroxymethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@](N)(CO)C1
InChIInChI=1S/C11H22N2O3/c1-10(2,3)16-9(15)13-6-4-5-11(12,7-13)8-14/h14H,4-8,12H2,1-3H3/t11-/m0/s1
InChIKeyYWAHTVBAPQTWIP-NSHDSACASA-N
MW230.31 g/mol
LogP0.71
Rot. Bonds1

About tert-butyl (3S)-3-amino-3-(hydroxymethyl)piperidine-1-carboxylate

tert-butyl (3S)-3-amino-3-(hydroxymethyl)piperidine-1-carboxylate (PubChem CID 96892899) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl (3S)-3-amino-3-(hydroxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-amino-3-(hydroxymethyl)piperidine-1-carboxylate
PubChem CID96892899
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl (3S)-3-amino-3-(hydroxymethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@](N)(CO)C1
InChIInChI=1S/C11H22N2O3/c1-10(2,3)16-9(15)13-6-4-5-11(12,7-13)8-14/h14H,4-8,12H2,1-3H3/t11-/m0/s1
InChIKeyYWAHTVBAPQTWIP-NSHDSACASA-N
XLogP0.71
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-amino-3-(hydroxymethyl)piperidine-1-carboxylate
CID 82662965
tert-butyl 3-amino-3-(2-oxopropyl)piperidine-1-carboxylate
CID 115047871
tert-butyl 3-amino-3-propylpiperidine-1-carboxylate
CID 83693042
tert-butyl (3R)-3-amino-3-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 97111496
tert-butyl 3-amino-3-(2-hydroxypropyl)piperidine-1-carboxylate
CID 115048296
(3S)-3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 26601059
tert-butyl (3S)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carboxylate
CID 97172659
tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane
CID 155737634
tert-butyl 3-(aminomethyl)-3-(hydroxymethyl)piperidine-1-carboxylate
CID 82664676
tert-butyl (3S)-3-amino-3-[(4-chlorophenyl)methyl]piperidine-1-carboxylate
CID 146631053
tert-butyl 2-(aminomethyl)-2-(hydroxymethyl)-5-azaspiro[2.5]octane-5-carboxylate
CID 84712731
tert-butyl (3R)-3-amino-3-propylpyrrolidine-1-carboxylate
CID 129371675

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-amino-3-(hydroxymethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-amino-3-(hydroxymethyl)piperidine-1-carboxylate (CID 96892899) is tert-butyl (3S)-3-amino-3-(hydroxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-amino-3-(hydroxymethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-amino-3-(hydroxymethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@](N)(CO)C1.
What is the InChIKey of tert-butyl (3S)-3-amino-3-(hydroxymethyl)piperidine-1-carboxylate?
The InChIKey is YWAHTVBAPQTWIP-NSHDSACASA-N. The full InChI is InChI=1S/C11H22N2O3/c1-10(2,3)16-9(15)13-6-4-5-11(12,7-13)8-14/h14H,4-8,12H2,1-3H3/t11-/m0/s1.
What are the key properties of tert-butyl (3S)-3-amino-3-(hydroxymethyl)piperidine-1-carboxylate?
tert-butyl (3S)-3-amino-3-(hydroxymethyl)piperidine-1-carboxylate has a molecular weight of 230.31 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-amino-3-(hydroxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 96892899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).