ditert-butyl (2S)-4-aminopiperidine-1,2-dicarboxylate

C15H28N2O4 — CID 90070662

IUPACditert-butyl (2S)-4-aminopiperidine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1CC(N)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O4/c1-14(2,3)20-12(18)11-9-10(16)7-8-17(11)13(19)21-15(4,5)6/h10-11H,7-9,16H2,1-6H3/t10?,11-/m0/s1
InChIKeyFOXGHYMKQRUTCE-DTIOYNMSSA-N
MW300.40 g/mol
LogP2.05
Rot. Bonds1

About ditert-butyl (2S)-4-aminopiperidine-1,2-dicarboxylate

ditert-butyl (2S)-4-aminopiperidine-1,2-dicarboxylate (PubChem CID 90070662) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is ditert-butyl (2S)-4-aminopiperidine-1,2-dicarboxylate.

Molecular Properties

Compound Nameditert-butyl (2S)-4-aminopiperidine-1,2-dicarboxylate
PubChem CID90070662
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Nameditert-butyl (2S)-4-aminopiperidine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1CC(N)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O4/c1-14(2,3)20-12(18)11-9-10(16)7-8-17(11)13(19)21-15(4,5)6/h10-11H,7-9,16H2,1-6H3/t10?,11-/m0/s1
InChIKeyFOXGHYMKQRUTCE-DTIOYNMSSA-N
XLogP2.05
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ditert-butyl azetidine-1,2-dicarboxylate
CID 14821737
tert-butyl 4-amino-2-cyclopropylpiperidine-1-carboxylate
CID 84800567
1-O-tert-butyl 2-O-methyl (2R,4R)-4-fluoropiperidine-1,2-dicarboxylate
CID 154803641
1-O-tert-butyl 2-O-methyl (2R,4R)-4-aminopyrrolidine-1,2-dicarboxylate
CID 7128407
tert-butyl (2S,4S)-4-amino-2-(2-hydroxyethyl)piperidine-1-carboxylate
CID 156892220
ditert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxypiperidine-1,2-dicarboxylate
CID 101367108
tert-butyl (2R)-2-aminoazetidine-1-carboxylate
CID 25417768
1-O-tert-butyl 2-O-methyl (2R,4S)-4-hydroxypiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-hydroxypiperidine-1,2-dicarboxylate
CID 172878152
1-O-tert-butyl 2-O-methyl 4-methylpiperidine-1,2-dicarboxylate
CID 21032095
1-O-tert-butyl 2-O-methyl (2S)-azetidine-1,2-dicarboxylate
CID 14821736
1-O-tert-butyl 2-O-ethyl (2R)-azetidine-1,2-dicarboxylate
CID 86335614
1-O-tert-butyl 2-O-(chloromethyl) (2S)-azetidine-1,2-dicarboxylate
CID 171393356

Frequently Asked Questions

What is the IUPAC name of ditert-butyl (2S)-4-aminopiperidine-1,2-dicarboxylate?
The IUPAC name of ditert-butyl (2S)-4-aminopiperidine-1,2-dicarboxylate (CID 90070662) is ditert-butyl (2S)-4-aminopiperidine-1,2-dicarboxylate.
What is the SMILES notation for ditert-butyl (2S)-4-aminopiperidine-1,2-dicarboxylate?
The canonical SMILES for ditert-butyl (2S)-4-aminopiperidine-1,2-dicarboxylate is CC(C)(C)OC(=O)[C@@H]1CC(N)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of ditert-butyl (2S)-4-aminopiperidine-1,2-dicarboxylate?
The InChIKey is FOXGHYMKQRUTCE-DTIOYNMSSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-14(2,3)20-12(18)11-9-10(16)7-8-17(11)13(19)21-15(4,5)6/h10-11H,7-9,16H2,1-6H3/t10?,11-/m0/s1.
What are the key properties of ditert-butyl (2S)-4-aminopiperidine-1,2-dicarboxylate?
ditert-butyl (2S)-4-aminopiperidine-1,2-dicarboxylate has a molecular weight of 300.40 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl (2S)-4-aminopiperidine-1,2-dicarboxylate is sourced from PubChem (CID 90070662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).