methyl 1-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate

C12H20N2O5 — CID 8754673

IUPACmethyl 1-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
SMILESCOC(=O)NC(=O)[C@H](C)N1CCC(C(=O)OC)CC1
InChIInChI=1S/C12H20N2O5/c1-8(10(15)13-12(17)19-3)14-6-4-9(5-7-14)11(16)18-2/h8-9H,4-7H2,1-3H3,(H,13,15,17)/t8-/m0/s1
InChIKeyOZROBNNOQCTJMO-QMMMGPOBSA-N
MW272.30 g/mol
LogP0.14
Rot. Bonds3

About methyl 1-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate

methyl 1-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate (PubChem CID 8754673) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is methyl 1-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
PubChem CID8754673
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Namemethyl 1-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
SMILESCOC(=O)NC(=O)[C@H](C)N1CCC(C(=O)OC)CC1
InChIInChI=1S/C12H20N2O5/c1-8(10(15)13-12(17)19-3)14-6-4-9(5-7-14)11(16)18-2/h8-9H,4-7H2,1-3H3,(H,13,15,17)/t8-/m0/s1
InChIKeyOZROBNNOQCTJMO-QMMMGPOBSA-N
XLogP0.14
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate (CID 8754673) is methyl 1-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate is COC(=O)NC(=O)[C@H](C)N1CCC(C(=O)OC)CC1.
What is the InChIKey of methyl 1-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate?
The InChIKey is OZROBNNOQCTJMO-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-8(10(15)13-12(17)19-3)14-6-4-9(5-7-14)11(16)18-2/h8-9H,4-7H2,1-3H3,(H,13,15,17)/t8-/m0/s1.
What are the key properties of methyl 1-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate?
methyl 1-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate has a molecular weight of 272.30 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate is sourced from PubChem (CID 8754673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).