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

C13H24N2O4 — CID 57161982

IUPACtert-butyl 3-(2-amino-1-methoxy-2-oxoethyl)piperidine-1-carboxylate
SMILESCOC(C(N)=O)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H24N2O4/c1-13(2,3)19-12(17)15-7-5-6-9(8-15)10(18-4)11(14)16/h9-10H,5-8H2,1-4H3,(H2,14,16)
InChIKeyYCPXQKRDFDJCPT-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.13
Rot. Bonds3

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

tert-butyl 3-(2-amino-1-methoxy-2-oxoethyl)piperidine-1-carboxylate (PubChem CID 57161982) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is tert-butyl 3-(2-amino-1-methoxy-2-oxoethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-amino-1-methoxy-2-oxoethyl)piperidine-1-carboxylate
PubChem CID57161982
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Nametert-butyl 3-(2-amino-1-methoxy-2-oxoethyl)piperidine-1-carboxylate
SMILESCOC(C(N)=O)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H24N2O4/c1-13(2,3)19-12(17)15-7-5-6-9(8-15)10(18-4)11(14)16/h9-10H,5-8H2,1-4H3,(H2,14,16)
InChIKeyYCPXQKRDFDJCPT-UHFFFAOYSA-N
XLogP1.13
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-(1-iodoethyl)piperidine-1-carboxylate
CID 71633205
tert-butyl (3S)-3-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxylate
CID 95566444
tert-butyl 3-(1-oxopropan-2-yl)piperidine-1-carboxylate
CID 83912646
tert-butyl 3-[1-(propan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 55212997
3-amino-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propanoic acid
CID 83489023
tert-butyl 3-(1-isocyanoethyl)piperidine-1-carboxylate
CID 84727790
tert-butyl 5-(1-aminoethyl)azocane-1-carboxylate
CID 166746033
tert-butyl 3-(2-hydroxypropan-2-yl)piperidine-1-carboxylate
CID 68596422
tert-butyl 3-(carbamoylamino)piperidine-1-carboxylate
CID 22357480
tert-butyl 3-[1-(cyclohexylamino)ethyl]piperidine-1-carboxylate
CID 103649308
tert-butyl (3S,4S)-4-(aminomethyl)-3-methylazepane-1-carboxylate
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tert-butyl 3-(diaminomethylideneamino)piperidine-1-carboxylate;hydrochloride
CID 67427139

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-amino-1-methoxy-2-oxoethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2-amino-1-methoxy-2-oxoethyl)piperidine-1-carboxylate (CID 57161982) is tert-butyl 3-(2-amino-1-methoxy-2-oxoethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-amino-1-methoxy-2-oxoethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2-amino-1-methoxy-2-oxoethyl)piperidine-1-carboxylate is COC(C(N)=O)C1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-(2-amino-1-methoxy-2-oxoethyl)piperidine-1-carboxylate?
The InChIKey is YCPXQKRDFDJCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-13(2,3)19-12(17)15-7-5-6-9(8-15)10(18-4)11(14)16/h9-10H,5-8H2,1-4H3,(H2,14,16).
What are the key properties of tert-butyl 3-(2-amino-1-methoxy-2-oxoethyl)piperidine-1-carboxylate?
tert-butyl 3-(2-amino-1-methoxy-2-oxoethyl)piperidine-1-carboxylate has a molecular weight of 272.34 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-amino-1-methoxy-2-oxoethyl)piperidine-1-carboxylate is sourced from PubChem (CID 57161982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).