tert-butyl (2R)-2-(N'-hydroxycarbamimidoyl)piperidine-1-carboxylate

C11H21N3O3 — CID 130131589

IUPACtert-butyl (2R)-2-(N'-hydroxycarbamimidoyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@@H]1C(N)=NO
InChIInChI=1S/C11H21N3O3/c1-11(2,3)17-10(15)14-7-5-4-6-8(14)9(12)13-16/h8,16H,4-7H2,1-3H3,(H2,12,13)/t8-/m1/s1
InChIKeyXZCPIKZHYXKFQO-MRVPVSSYSA-N
MW243.31 g/mol
LogP1.52
Rot. Bonds1

About tert-butyl (2R)-2-(N'-hydroxycarbamimidoyl)piperidine-1-carboxylate

tert-butyl (2R)-2-(N'-hydroxycarbamimidoyl)piperidine-1-carboxylate (PubChem CID 130131589) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is tert-butyl (2R)-2-(N'-hydroxycarbamimidoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(N'-hydroxycarbamimidoyl)piperidine-1-carboxylate
PubChem CID130131589
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Nametert-butyl (2R)-2-(N'-hydroxycarbamimidoyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@@H]1C(N)=NO
InChIInChI=1S/C11H21N3O3/c1-11(2,3)17-10(15)14-7-5-4-6-8(14)9(12)13-16/h8,16H,4-7H2,1-3H3,(H2,12,13)/t8-/m1/s1
InChIKeyXZCPIKZHYXKFQO-MRVPVSSYSA-N
XLogP1.52
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 688617
(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 10537428
1-[(2-methylpropan-2-yl)oxycarbonyl]azepane-2-carboxylic acid
CID 3292084
tert-butyl (2R)-2-(C-chloro-N-hydroxycarbonimidoyl)pyrrolidine-1-carboxylate
CID 89192007
tert-butyl 2-methylpiperidine-1-carboxylate;ethane
CID 153328823
tert-butyl 2-(tert-butylcarbamoyl)piperidine-1-carboxylate
CID 100994535
tert-butyl (2S)-2-(2-chloroacetyl)piperidine-1-carboxylate
CID 91971112
tert-butyl (3S)-3-(N'-hydroxycarbamimidoyl)thiomorpholine-4-carboxylate
CID 124522611
methylidene-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carbonyl]oxidanium
CID 161097075
tert-butyl (2R)-2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylate
CID 75467174
(2S)-2-[(Z)-N'-hydroxycarbamimidoyl]piperidine-1-carboxylic acid
CID 21355915
2-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]prop-2-enoic acid
CID 165389383

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(N'-hydroxycarbamimidoyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-(N'-hydroxycarbamimidoyl)piperidine-1-carboxylate (CID 130131589) is tert-butyl (2R)-2-(N'-hydroxycarbamimidoyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-(N'-hydroxycarbamimidoyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-(N'-hydroxycarbamimidoyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC[C@@H]1C(N)=NO.
What is the InChIKey of tert-butyl (2R)-2-(N'-hydroxycarbamimidoyl)piperidine-1-carboxylate?
The InChIKey is XZCPIKZHYXKFQO-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-11(2,3)17-10(15)14-7-5-4-6-8(14)9(12)13-16/h8,16H,4-7H2,1-3H3,(H2,12,13)/t8-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(N'-hydroxycarbamimidoyl)piperidine-1-carboxylate?
tert-butyl (2R)-2-(N'-hydroxycarbamimidoyl)piperidine-1-carboxylate has a molecular weight of 243.31 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(N'-hydroxycarbamimidoyl)piperidine-1-carboxylate is sourced from PubChem (CID 130131589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).