2-methylpropyl 4-[[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]amino]piperidine-1-carboxylate

C19H32N2O3 — CID 99851637

IUPAC2-methylpropyl 4-[[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]amino]piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1
InChIInChI=1S/C19H32N2O3/c1-13(2)12-24-18(22)21-9-4-14(5-10-21)20-16-15-6-11-23-17(15)19(16)7-3-8-19/h13-17,20H,3-12H2,1-2H3/t15-,16-,17+/m1/s1
InChIKeyONXYHBVYGPYILE-ZACQAIPSSA-N
MW336.48 g/mol
LogP2.79
Rot. Bonds4

About 2-methylpropyl 4-[[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]amino]piperidine-1-carboxylate

2-methylpropyl 4-[[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]amino]piperidine-1-carboxylate (PubChem CID 99851637) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-methylpropyl 4-[[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-[[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]amino]piperidine-1-carboxylate
PubChem CID99851637
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Name2-methylpropyl 4-[[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]amino]piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1
InChIInChI=1S/C19H32N2O3/c1-13(2)12-24-18(22)21-9-4-14(5-10-21)20-16-15-6-11-23-17(15)19(16)7-3-8-19/h13-17,20H,3-12H2,1-2H3/t15-,16-,17+/m1/s1
InChIKeyONXYHBVYGPYILE-ZACQAIPSSA-N
XLogP2.79
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methylpropyl 4-[[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

2-methylpropyl 4-[[(1R,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]amino]piperidine-1-carboxylate
CID 129446196
2-methylpropyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 69398316
2-methylpropyl 4-(propan-2-ylamino)piperidine-1-carboxylate
CID 142781179
ethyl 4-(N'-methyl-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylcarbamimidoyl)piperazine-1-carboxylate
CID 109391564
ethyl 4-[[N'-[2-(dimethylamino)-2-oxoethyl]-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 110036429
ethyl 4-[[N'-[2-(dimethylamino)-2-oxoethyl]-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylcarbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 110036428
2-methylpropyl 4-[[(1R,2S)-2-hydroxycyclohexyl]amino]piperidine-1-carboxylate
CID 99851619
2-amino-3-methoxy-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpropanamide
CID 120993433
N-(3-methylcyclobutyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine
CID 115906391
2-methylpropyl 4-[[(1R,2R)-2-(hydroxymethyl)cyclopentyl]amino]piperidine-1-carboxylate
CID 97056288
2-methylpropyl 4-(propanoylamino)piperidine-1-carboxylate
CID 108562132
2-methylpropyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate
CID 108559419

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-[[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]amino]piperidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-[[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]amino]piperidine-1-carboxylate (CID 99851637) is 2-methylpropyl 4-[[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-[[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-[[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]amino]piperidine-1-carboxylate is CC(C)COC(=O)N1CCC(N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1.
What is the InChIKey of 2-methylpropyl 4-[[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]amino]piperidine-1-carboxylate?
The InChIKey is ONXYHBVYGPYILE-ZACQAIPSSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-13(2)12-24-18(22)21-9-4-14(5-10-21)20-16-15-6-11-23-17(15)19(16)7-3-8-19/h13-17,20H,3-12H2,1-2H3/t15-,16-,17+/m1/s1.
What are the key properties of 2-methylpropyl 4-[[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]amino]piperidine-1-carboxylate?
2-methylpropyl 4-[[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]amino]piperidine-1-carboxylate has a molecular weight of 336.48 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-[[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 99851637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).