[(3R,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxopiperidin-3-yl] acetate

C12H20N2O5 — CID 10754639

IUPAC[(3R,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxopiperidin-3-yl] acetate
SMILESCC(=O)O[C@H]1CNC(=O)[C@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H20N2O5/c1-7(15)18-8-5-9(10(16)13-6-8)14-11(17)19-12(2,3)4/h8-9H,5-6H2,1-4H3,(H,13,16)(H,14,17)/t8-,9-/m1/s1
InChIKeyFTDCTHJBHDUJKL-RKDXNWHRSA-N
MW272.30 g/mol
LogP0.33
Rot. Bonds2

About [(3R,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxopiperidin-3-yl] acetate

[(3R,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxopiperidin-3-yl] acetate (PubChem CID 10754639) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is [(3R,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxopiperidin-3-yl] acetate.

Molecular Properties

Compound Name[(3R,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxopiperidin-3-yl] acetate
PubChem CID10754639
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name[(3R,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxopiperidin-3-yl] acetate
SMILESCC(=O)O[C@H]1CNC(=O)[C@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H20N2O5/c1-7(15)18-8-5-9(10(16)13-6-8)14-11(17)19-12(2,3)4/h8-9H,5-6H2,1-4H3,(H,13,16)(H,14,17)/t8-,9-/m1/s1
InChIKeyFTDCTHJBHDUJKL-RKDXNWHRSA-N
XLogP0.33
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(3R,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxopiperidin-3-yl] acetate with MolForge

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Related Compounds

tert-Butyl (R)-(4-methyl-1-morpholino-1-oxopentan-2-yl)carbamate
CID 28367626
[(3S)-5,5-difluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-4-yl] butanoate
CID 175023863
trans-Myristic acid 3-tert-butoxycarbonylamino-2-oxo-piperidin-5-yl ester
CID 10813018
Isopropyl 3-ethyl-5-oxopiperazine-2-carboxylate
CID 129842624
Boc-Hse(Bu)-Ala-OtBu
CID 154721797
Ethyl 2-acetylamino-3-(2-oxo-piperidin-1-yl)propanoate
CID 536647
tert-butyl N-[(3S,5R)-5-hydroxy-2-oxo-3-piperidyl]carbamate
CID 177789115
tert-Butyl (S)-(4-methyl-1-morpholino-1-oxopentan-2-yl)carbamate
CID 11055696
tert-butyl 2-[(3S)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2-oxopiperazin-1-yl]acetate
CID 11111477
tert-butyl N-[5-oxo-5-[[(3S)-2-oxooxolan-3-yl]amino]pentyl]carbamate
CID 11666568
tert-butyl N-[(2S)-4-methyl-1-oxo-1-[[(3S)-2-oxooxolan-3-yl]amino]pentan-2-yl]carbamate
CID 12148915
ethyl 2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]acetate
CID 14654674

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxopiperidin-3-yl] acetate?
The IUPAC name of [(3R,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxopiperidin-3-yl] acetate (CID 10754639) is [(3R,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxopiperidin-3-yl] acetate.
What is the SMILES notation for [(3R,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxopiperidin-3-yl] acetate?
The canonical SMILES for [(3R,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxopiperidin-3-yl] acetate is CC(=O)O[C@H]1CNC(=O)[C@H](NC(=O)OC(C)(C)C)C1.
What is the InChIKey of [(3R,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxopiperidin-3-yl] acetate?
The InChIKey is FTDCTHJBHDUJKL-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-7(15)18-8-5-9(10(16)13-6-8)14-11(17)19-12(2,3)4/h8-9H,5-6H2,1-4H3,(H,13,16)(H,14,17)/t8-,9-/m1/s1.
What are the key properties of [(3R,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxopiperidin-3-yl] acetate?
[(3R,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxopiperidin-3-yl] acetate has a molecular weight of 272.30 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxopiperidin-3-yl] acetate is sourced from PubChem (CID 10754639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).