tert-butyl 4-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate

C13H25N3O3 — CID 11701760

IUPACtert-butyl 4-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CNC(=O)CN)CC1
InChIInChI=1S/C13H25N3O3/c1-13(2,3)19-12(18)16-6-4-10(5-7-16)9-15-11(17)8-14/h10H,4-9,14H2,1-3H3,(H,15,17)
InChIKeySPUCYXUVHHDCEC-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.71
Rot. Bonds3

About tert-butyl 4-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate

tert-butyl 4-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate (PubChem CID 11701760) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is tert-butyl 4-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate
PubChem CID11701760
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Nametert-butyl 4-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CNC(=O)CN)CC1
InChIInChI=1S/C13H25N3O3/c1-13(2,3)19-12(18)16-6-4-10(5-7-16)9-15-11(17)8-14/h10H,4-9,14H2,1-3H3,(H,15,17)
InChIKeySPUCYXUVHHDCEC-UHFFFAOYSA-N
XLogP0.71
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3R)-3-[[(2-aminoacetyl)amino]methyl]pyrrolidine-1-carboxylate
CID 96551831
tert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate
CID 53249196
tert-butyl 4-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]piperidine-1-carboxylate
CID 79699650
tert-butyl 4-[[(1-amino-2-methyl-1-oxopropan-2-yl)amino]methyl]piperidine-1-carboxylate
CID 79699892
tert-butyl 4-[[(N,N'-dimethylcarbamimidoyl)amino]methyl]piperidine-1-carboxylate;hydroiodide
CID 110927242
ethyl 4-[N'-methyl-N-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]carbamimidoyl]piperazine-1-carboxylate
CID 111163945
tert-butyl 4-(propylaminomethyl)piperidine-1-carboxylate
CID 66960433
tert-butyl 4-[(prop-2-ynylamino)methyl]piperidine-1-carboxylate
CID 79699956
tert-butyl 4-[[[N-methyl-C-(4-methylpiperidin-1-yl)carbonimidoyl]amino]methyl]piperidine-1-carboxylate
CID 111210271
tert-butyl 4-[2-(3-aminopropylamino)-2-oxoethyl]piperidine-1-carboxylate
CID 165436541
tert-butyl 4-[(2-methylbutan-2-ylamino)methyl]piperidine-1-carboxylate
CID 78918218
tert-butyl 4-(cyclopentylmethylcarbamoyl)piperazine-1-carboxylate
CID 108902696

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate (CID 11701760) is tert-butyl 4-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CNC(=O)CN)CC1.
What is the InChIKey of tert-butyl 4-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate?
The InChIKey is SPUCYXUVHHDCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-13(2,3)19-12(18)16-6-4-10(5-7-16)9-15-11(17)8-14/h10H,4-9,14H2,1-3H3,(H,15,17).
What are the key properties of tert-butyl 4-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 271.36 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 11701760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).