tert-butyl (3S)-3-(2-amino-2-oxoethyl)piperidine-1-carboxylate

C12H22N2O3 — CID 156540665

IUPACtert-butyl (3S)-3-(2-amino-2-oxoethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](CC(N)=O)C1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)17-11(16)14-6-4-5-9(8-14)7-10(13)15/h9H,4-8H2,1-3H3,(H2,13,15)/t9-/m0/s1
InChIKeyBOMFQWSXYDNMRZ-VIFPVBQESA-N
MW242.32 g/mol
LogP1.51
Rot. Bonds2

About tert-butyl (3S)-3-(2-amino-2-oxoethyl)piperidine-1-carboxylate

tert-butyl (3S)-3-(2-amino-2-oxoethyl)piperidine-1-carboxylate (PubChem CID 156540665) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is tert-butyl (3S)-3-(2-amino-2-oxoethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-(2-amino-2-oxoethyl)piperidine-1-carboxylate
PubChem CID156540665
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nametert-butyl (3S)-3-(2-amino-2-oxoethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](CC(N)=O)C1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)17-11(16)14-6-4-5-9(8-14)7-10(13)15/h9H,4-8H2,1-3H3,(H2,13,15)/t9-/m0/s1
InChIKeyBOMFQWSXYDNMRZ-VIFPVBQESA-N
XLogP1.51
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3R)-3-(2-amino-2-oxoethyl)pyrrolidine-1-carboxylate
CID 152550195
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid
CID 4115028
tert-butyl 3-(3-amino-2-oxopropyl)piperidine-1-carboxylate
CID 82380599
tert-butyl 3-(hydroxymethyl)piperidine-1-carboxylate
CID 2763851
tert-butyl 3-aminopiperidine-1-carboxylate;dihydrochloride
CID 155920291
tert-butyl 3-(sulfinamoylmethyl)piperidine-1-carboxylate
CID 165459517
tert-butyl 3-[(2-methylpropan-2-yl)oxymethyl]piperidine-1-carboxylate
CID 118163740
tert-butyl (3S)-3-[dideuterio(hydroxy)methyl]piperidine-1-carboxylate
CID 151334292
tert-butyl 3-(4-ethoxy-2,4-dioxobutyl)piperidine-1-carboxylate
CID 24730344
tert-butyl 3-(3-aminopropyl)piperidine-1-carboxylate
CID 68857542
tert-butyl 3-(aminomethyl)piperidine-1-carboxylate;tert-butyl 4-(aminomethyl)piperidine-1-carboxylate
CID 174823448
tert-butyl 3-(2-iodoethyl)piperidine-1-carboxylate
CID 10088547

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-(2-amino-2-oxoethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-(2-amino-2-oxoethyl)piperidine-1-carboxylate (CID 156540665) is tert-butyl (3S)-3-(2-amino-2-oxoethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-(2-amino-2-oxoethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-(2-amino-2-oxoethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H](CC(N)=O)C1.
What is the InChIKey of tert-butyl (3S)-3-(2-amino-2-oxoethyl)piperidine-1-carboxylate?
The InChIKey is BOMFQWSXYDNMRZ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(2,3)17-11(16)14-6-4-5-9(8-14)7-10(13)15/h9H,4-8H2,1-3H3,(H2,13,15)/t9-/m0/s1.
What are the key properties of tert-butyl (3S)-3-(2-amino-2-oxoethyl)piperidine-1-carboxylate?
tert-butyl (3S)-3-(2-amino-2-oxoethyl)piperidine-1-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-(2-amino-2-oxoethyl)piperidine-1-carboxylate is sourced from PubChem (CID 156540665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).