methyl (3S)-1-[2-(methoxycarbonylamino)-2-oxoethyl]piperidine-3-carboxylate

C11H18N2O5 — CID 79046631

IUPACmethyl (3S)-1-[2-(methoxycarbonylamino)-2-oxoethyl]piperidine-3-carboxylate
SMILESCOC(=O)NC(=O)CN1CCC[C@H](C(=O)OC)C1
InChIInChI=1S/C11H18N2O5/c1-17-10(15)8-4-3-5-13(6-8)7-9(14)12-11(16)18-2/h8H,3-7H2,1-2H3,(H,12,14,16)/t8-/m0/s1
InChIKeyXWWXHCIKJAYOLB-QMMMGPOBSA-N
MW258.27 g/mol
LogP-0.25
Rot. Bonds3

About methyl (3S)-1-[2-(methoxycarbonylamino)-2-oxoethyl]piperidine-3-carboxylate

methyl (3S)-1-[2-(methoxycarbonylamino)-2-oxoethyl]piperidine-3-carboxylate (PubChem CID 79046631) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is methyl (3S)-1-[2-(methoxycarbonylamino)-2-oxoethyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-1-[2-(methoxycarbonylamino)-2-oxoethyl]piperidine-3-carboxylate
PubChem CID79046631
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Namemethyl (3S)-1-[2-(methoxycarbonylamino)-2-oxoethyl]piperidine-3-carboxylate
SMILESCOC(=O)NC(=O)CN1CCC[C@H](C(=O)OC)C1
InChIInChI=1S/C11H18N2O5/c1-17-10(15)8-4-3-5-13(6-8)7-9(14)12-11(16)18-2/h8H,3-7H2,1-2H3,(H,12,14,16)/t8-/m0/s1
InChIKeyXWWXHCIKJAYOLB-QMMMGPOBSA-N
XLogP-0.25
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 78925540
methyl (3S)-1-[2-(2-acetylhydrazinyl)-2-oxoethyl]piperidine-3-carboxylate
CID 79047605
methyl 1-[2-(3-methylbutylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 78921362
methyl (3S)-1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-3-carboxylate
CID 79037659
methyl (3S)-1-[2-(furan-2-carbonylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 115537539
methyl 1-(2-ethoxy-2-oxoethyl)piperidine-3-carboxylate
CID 53421319
methyl (3S)-1-[2-(heptan-2-ylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 79037613
methyl (3S)-1-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]piperidine-3-carboxylate
CID 115537541
2-(3-acetylpiperidin-1-yl)-N-carbamoylacetamide
CID 63846142
methyl N-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]acetyl]carbamate
CID 11940465
methyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 47280826
methyl 1-(cyclopentylmethyl)piperidine-3-carboxylate
CID 78921285

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-1-[2-(methoxycarbonylamino)-2-oxoethyl]piperidine-3-carboxylate?
The IUPAC name of methyl (3S)-1-[2-(methoxycarbonylamino)-2-oxoethyl]piperidine-3-carboxylate (CID 79046631) is methyl (3S)-1-[2-(methoxycarbonylamino)-2-oxoethyl]piperidine-3-carboxylate.
What is the SMILES notation for methyl (3S)-1-[2-(methoxycarbonylamino)-2-oxoethyl]piperidine-3-carboxylate?
The canonical SMILES for methyl (3S)-1-[2-(methoxycarbonylamino)-2-oxoethyl]piperidine-3-carboxylate is COC(=O)NC(=O)CN1CCC[C@H](C(=O)OC)C1.
What is the InChIKey of methyl (3S)-1-[2-(methoxycarbonylamino)-2-oxoethyl]piperidine-3-carboxylate?
The InChIKey is XWWXHCIKJAYOLB-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-17-10(15)8-4-3-5-13(6-8)7-9(14)12-11(16)18-2/h8H,3-7H2,1-2H3,(H,12,14,16)/t8-/m0/s1.
What are the key properties of methyl (3S)-1-[2-(methoxycarbonylamino)-2-oxoethyl]piperidine-3-carboxylate?
methyl (3S)-1-[2-(methoxycarbonylamino)-2-oxoethyl]piperidine-3-carboxylate has a molecular weight of 258.27 g/mol, XLogP of -0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-1-[2-(methoxycarbonylamino)-2-oxoethyl]piperidine-3-carboxylate is sourced from PubChem (CID 79046631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).