tert-butyl-[(3S,4S)-3-methoxypiperidin-4-yl]carbamic acid

C11H22N2O3 — CID 57486906

IUPACtert-butyl-[(3S,4S)-3-methoxypiperidin-4-yl]carbamic acid
SMILESCO[C@H]1CNCC[C@@H]1N(C(=O)O)C(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-11(2,3)13(10(14)15)8-5-6-12-7-9(8)16-4/h8-9,12H,5-7H2,1-4H3,(H,14,15)/t8-,9-/m0/s1
InChIKeyRJWVGKGOIGGIGG-IUCAKERBSA-N
MW230.31 g/mol
LogP1.14
Rot. Bonds2

About tert-butyl-[(3S,4S)-3-methoxypiperidin-4-yl]carbamic acid

tert-butyl-[(3S,4S)-3-methoxypiperidin-4-yl]carbamic acid (PubChem CID 57486906) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl-[(3S,4S)-3-methoxypiperidin-4-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[(3S,4S)-3-methoxypiperidin-4-yl]carbamic acid
PubChem CID57486906
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl-[(3S,4S)-3-methoxypiperidin-4-yl]carbamic acid
SMILESCO[C@H]1CNCC[C@@H]1N(C(=O)O)C(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-11(2,3)13(10(14)15)8-5-6-12-7-9(8)16-4/h8-9,12H,5-7H2,1-4H3,(H,14,15)/t8-,9-/m0/s1
InChIKeyRJWVGKGOIGGIGG-IUCAKERBSA-N
XLogP1.14
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S,4S)-3-methoxypiperidin-4-yl]carbamic acid?
The IUPAC name of tert-butyl-[(3S,4S)-3-methoxypiperidin-4-yl]carbamic acid (CID 57486906) is tert-butyl-[(3S,4S)-3-methoxypiperidin-4-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[(3S,4S)-3-methoxypiperidin-4-yl]carbamic acid?
The canonical SMILES for tert-butyl-[(3S,4S)-3-methoxypiperidin-4-yl]carbamic acid is CO[C@H]1CNCC[C@@H]1N(C(=O)O)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3S,4S)-3-methoxypiperidin-4-yl]carbamic acid?
The InChIKey is RJWVGKGOIGGIGG-IUCAKERBSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,3)13(10(14)15)8-5-6-12-7-9(8)16-4/h8-9,12H,5-7H2,1-4H3,(H,14,15)/t8-,9-/m0/s1.
What are the key properties of tert-butyl-[(3S,4S)-3-methoxypiperidin-4-yl]carbamic acid?
tert-butyl-[(3S,4S)-3-methoxypiperidin-4-yl]carbamic acid has a molecular weight of 230.31 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S,4S)-3-methoxypiperidin-4-yl]carbamic acid is sourced from PubChem (CID 57486906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).