methyl (2S)-3-methyl-2-(piperidine-1-carbonylamino)pentanoate

C13H24N2O3 — CID 16682292

IUPACmethyl (2S)-3-methyl-2-(piperidine-1-carbonylamino)pentanoate
SMILESCCC(C)[C@H](NC(=O)N1CCCCC1)C(=O)OC
InChIInChI=1S/C13H24N2O3/c1-4-10(2)11(12(16)18-3)14-13(17)15-8-6-5-7-9-15/h10-11H,4-9H2,1-3H3,(H,14,17)/t10?,11-/m0/s1
InChIKeyCZAXIYXHMXDHJR-DTIOYNMSSA-N
MW256.35 g/mol
LogP1.77
Rot. Bonds4

About methyl (2S)-3-methyl-2-(piperidine-1-carbonylamino)pentanoate

methyl (2S)-3-methyl-2-(piperidine-1-carbonylamino)pentanoate (PubChem CID 16682292) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is methyl (2S)-3-methyl-2-(piperidine-1-carbonylamino)pentanoate.

Molecular Properties

Compound Namemethyl (2S)-3-methyl-2-(piperidine-1-carbonylamino)pentanoate
PubChem CID16682292
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Namemethyl (2S)-3-methyl-2-(piperidine-1-carbonylamino)pentanoate
SMILESCCC(C)[C@H](NC(=O)N1CCCCC1)C(=O)OC
InChIInChI=1S/C13H24N2O3/c1-4-10(2)11(12(16)18-3)14-13(17)15-8-6-5-7-9-15/h10-11H,4-9H2,1-3H3,(H,14,17)/t10?,11-/m0/s1
InChIKeyCZAXIYXHMXDHJR-DTIOYNMSSA-N
XLogP1.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-methyl-2-(piperidine-1-carbonylamino)pentanoate?
The IUPAC name of methyl (2S)-3-methyl-2-(piperidine-1-carbonylamino)pentanoate (CID 16682292) is methyl (2S)-3-methyl-2-(piperidine-1-carbonylamino)pentanoate.
What is the SMILES notation for methyl (2S)-3-methyl-2-(piperidine-1-carbonylamino)pentanoate?
The canonical SMILES for methyl (2S)-3-methyl-2-(piperidine-1-carbonylamino)pentanoate is CCC(C)[C@H](NC(=O)N1CCCCC1)C(=O)OC.
What is the InChIKey of methyl (2S)-3-methyl-2-(piperidine-1-carbonylamino)pentanoate?
The InChIKey is CZAXIYXHMXDHJR-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-10(2)11(12(16)18-3)14-13(17)15-8-6-5-7-9-15/h10-11H,4-9H2,1-3H3,(H,14,17)/t10?,11-/m0/s1.
What are the key properties of methyl (2S)-3-methyl-2-(piperidine-1-carbonylamino)pentanoate?
methyl (2S)-3-methyl-2-(piperidine-1-carbonylamino)pentanoate has a molecular weight of 256.35 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-methyl-2-(piperidine-1-carbonylamino)pentanoate is sourced from PubChem (CID 16682292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).