tert-butyl (3R)-3-[(2-methoxyacetyl)amino]piperidine-1-carboxylate

C13H24N2O4 — CID 53256453

IUPACtert-butyl (3R)-3-[(2-methoxyacetyl)amino]piperidine-1-carboxylate
SMILESCOCC(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H24N2O4/c1-13(2,3)19-12(17)15-7-5-6-10(8-15)14-11(16)9-18-4/h10H,5-9H2,1-4H3,(H,14,16)/t10-/m1/s1
InChIKeyHUTUXRCMCMDZPF-SNVBAGLBSA-N
MW272.34 g/mol
LogP1.15
Rot. Bonds3

About tert-butyl (3R)-3-[(2-methoxyacetyl)amino]piperidine-1-carboxylate

tert-butyl (3R)-3-[(2-methoxyacetyl)amino]piperidine-1-carboxylate (PubChem CID 53256453) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is tert-butyl (3R)-3-[(2-methoxyacetyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[(2-methoxyacetyl)amino]piperidine-1-carboxylate
PubChem CID53256453
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Nametert-butyl (3R)-3-[(2-methoxyacetyl)amino]piperidine-1-carboxylate
SMILESCOCC(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H24N2O4/c1-13(2,3)19-12(17)15-7-5-6-10(8-15)14-11(16)9-18-4/h10H,5-9H2,1-4H3,(H,14,16)/t10-/m1/s1
InChIKeyHUTUXRCMCMDZPF-SNVBAGLBSA-N
XLogP1.15
TPSA67.87 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 ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-(carbamoylamino)piperidine-1-carboxylate
CID 22357480
tert-butyl (3R)-3-(2-methylpropylamino)piperidine-1-carboxylate
CID 53256504
tert-butyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]azepane-1-carboxylate
CID 171397391
tert-butyl 3-[[ethyl(methyl)carbamoyl]amino]piperidine-1-carboxylate
CID 126812951
tert-butyl 3-[(2-methylcyclopropyl)amino]piperidine-1-carboxylate
CID 62397126
tert-butyl (3S)-3-[[(E)-but-2-enoyl]amino]piperidine-1-carboxylate
CID 155353442
tert-butyl 3-(methylsulfanylamino)piperidine-1-carboxylate
CID 142582835
tert-butyl (3S)-3-[[(E)-3-methoxy-2-methylprop-2-enoyl]amino]piperidine-1-carboxylate
CID 71514723
tert-butyl 3-[(1-cyclopropyl-2-methoxyethyl)amino]piperidine-1-carboxylate
CID 103783719
tert-butyl (3R)-3-(oxane-4-carbonylamino)piperidine-1-carboxylate
CID 53256460
tert-butyl (3R)-3-[[(2S)-2-amino-3-methylbutanoyl]amino]piperidine-1-carboxylate
CID 66564157
tert-butyl 3-(ethylsulfonylamino)piperidine-1-carboxylate
CID 75994051

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[(2-methoxyacetyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[(2-methoxyacetyl)amino]piperidine-1-carboxylate (CID 53256453) is tert-butyl (3R)-3-[(2-methoxyacetyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[(2-methoxyacetyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[(2-methoxyacetyl)amino]piperidine-1-carboxylate is COCC(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (3R)-3-[(2-methoxyacetyl)amino]piperidine-1-carboxylate?
The InChIKey is HUTUXRCMCMDZPF-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-13(2,3)19-12(17)15-7-5-6-10(8-15)14-11(16)9-18-4/h10H,5-9H2,1-4H3,(H,14,16)/t10-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[(2-methoxyacetyl)amino]piperidine-1-carboxylate?
tert-butyl (3R)-3-[(2-methoxyacetyl)amino]piperidine-1-carboxylate has a molecular weight of 272.34 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[(2-methoxyacetyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 53256453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).