tert-butyl 3-(2-aminoacetyl)piperidine-1-carboxylate

C12H22N2O3 — CID 82386816

IUPACtert-butyl 3-(2-aminoacetyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C(=O)CN)C1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)17-11(16)14-6-4-5-9(8-14)10(15)7-13/h9H,4-8,13H2,1-3H3
InChIKeyVHAUJJATACLPAX-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.16
Rot. Bonds2

About tert-butyl 3-(2-aminoacetyl)piperidine-1-carboxylate

tert-butyl 3-(2-aminoacetyl)piperidine-1-carboxylate (PubChem CID 82386816) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is tert-butyl 3-(2-aminoacetyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-aminoacetyl)piperidine-1-carboxylate
PubChem CID82386816
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nametert-butyl 3-(2-aminoacetyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C(=O)CN)C1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)17-11(16)14-6-4-5-9(8-14)10(15)7-13/h9H,4-8,13H2,1-3H3
InChIKeyVHAUJJATACLPAX-UHFFFAOYSA-N
XLogP1.16
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-(2-aminoacetyl)azepane-1-carboxylate
CID 83488550
tert-butyl 3-pentanoylpiperidine-1-carboxylate
CID 82092945
tert-butyl 3-(2-methylsulfonylacetyl)piperidine-1-carboxylate
CID 53485471
tert-butyl (3S)-3-(2-cyanoacetyl)piperidine-1-carboxylate
CID 1448007
methylidene-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-3-oxopropanoyl]oxidanium
CID 58853396
[amino-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methylidene]azanium chloride
CID 86767264
tert-butyl (3S,4S)-4-(aminomethyl)-3-methylazepane-1-carboxylate
CID 125117061
tert-butyl 3,4-diaminoazepane-1-carboxylate
CID 175539972
tert-butyl (3S)-3-(2,2,2-trifluoroacetyl)piperidine-1-carboxylate
CID 95566430
tert-butyl (3R)-3-oxaldehydoylpiperidine-1-carboxylate
CID 171085627
tert-butyl 3-(4-aminopiperidine-1-carbonyl)piperidine-1-carboxylate
CID 50986434
tert-butyl 3-(3-amino-2-oxopropyl)piperidine-1-carboxylate
CID 82380599

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-aminoacetyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2-aminoacetyl)piperidine-1-carboxylate (CID 82386816) is tert-butyl 3-(2-aminoacetyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-aminoacetyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2-aminoacetyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(C(=O)CN)C1.
What is the InChIKey of tert-butyl 3-(2-aminoacetyl)piperidine-1-carboxylate?
The InChIKey is VHAUJJATACLPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(2,3)17-11(16)14-6-4-5-9(8-14)10(15)7-13/h9H,4-8,13H2,1-3H3.
What are the key properties of tert-butyl 3-(2-aminoacetyl)piperidine-1-carboxylate?
tert-butyl 3-(2-aminoacetyl)piperidine-1-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-aminoacetyl)piperidine-1-carboxylate is sourced from PubChem (CID 82386816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).