tert-butyl 4-[(2R,3S)-3-amino-6-oxopiperidin-2-yl]piperidine-1-carboxylate

C15H27N3O3 — CID 100618439

IUPACtert-butyl 4-[(2R,3S)-3-amino-6-oxopiperidin-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC([C@H]2NC(=O)CC[C@@H]2N)CC1
InChIInChI=1S/C15H27N3O3/c1-15(2,3)21-14(20)18-8-6-10(7-9-18)13-11(16)4-5-12(19)17-13/h10-11,13H,4-9,16H2,1-3H3,(H,17,19)/t11-,13+/m0/s1
InChIKeyAADBRYTVUFZUSW-WCQYABFASA-N
MW297.40 g/mol
LogP1.24
Rot. Bonds1

About tert-butyl 4-[(2R,3S)-3-amino-6-oxopiperidin-2-yl]piperidine-1-carboxylate

tert-butyl 4-[(2R,3S)-3-amino-6-oxopiperidin-2-yl]piperidine-1-carboxylate (PubChem CID 100618439) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is tert-butyl 4-[(2R,3S)-3-amino-6-oxopiperidin-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2R,3S)-3-amino-6-oxopiperidin-2-yl]piperidine-1-carboxylate
PubChem CID100618439
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Nametert-butyl 4-[(2R,3S)-3-amino-6-oxopiperidin-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC([C@H]2NC(=O)CC[C@@H]2N)CC1
InChIInChI=1S/C15H27N3O3/c1-15(2,3)21-14(20)18-8-6-10(7-9-18)13-11(16)4-5-12(19)17-13/h10-11,13H,4-9,16H2,1-3H3,(H,17,19)/t11-,13+/m0/s1
InChIKeyAADBRYTVUFZUSW-WCQYABFASA-N
XLogP1.24
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2R,3S)-3-amino-6-oxopiperidin-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2R,3S)-3-amino-6-oxopiperidin-2-yl]piperidine-1-carboxylate (CID 100618439) is tert-butyl 4-[(2R,3S)-3-amino-6-oxopiperidin-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2R,3S)-3-amino-6-oxopiperidin-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2R,3S)-3-amino-6-oxopiperidin-2-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC([C@H]2NC(=O)CC[C@@H]2N)CC1.
What is the InChIKey of tert-butyl 4-[(2R,3S)-3-amino-6-oxopiperidin-2-yl]piperidine-1-carboxylate?
The InChIKey is AADBRYTVUFZUSW-WCQYABFASA-N. The full InChI is InChI=1S/C15H27N3O3/c1-15(2,3)21-14(20)18-8-6-10(7-9-18)13-11(16)4-5-12(19)17-13/h10-11,13H,4-9,16H2,1-3H3,(H,17,19)/t11-,13+/m0/s1.
What are the key properties of tert-butyl 4-[(2R,3S)-3-amino-6-oxopiperidin-2-yl]piperidine-1-carboxylate?
tert-butyl 4-[(2R,3S)-3-amino-6-oxopiperidin-2-yl]piperidine-1-carboxylate has a molecular weight of 297.40 g/mol, XLogP of 1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2R,3S)-3-amino-6-oxopiperidin-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 100618439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).