methyl (2R)-1-[1-oxo-1-(propylamino)propan-2-yl]piperidine-2-carboxylate

C13H24N2O3 — CID 115537824

IUPACmethyl (2R)-1-[1-oxo-1-(propylamino)propan-2-yl]piperidine-2-carboxylate
SMILESCCCNC(=O)C(C)N1CCCC[C@@H]1C(=O)OC
InChIInChI=1S/C13H24N2O3/c1-4-8-14-12(16)10(2)15-9-6-5-7-11(15)13(17)18-3/h10-11H,4-9H2,1-3H3,(H,14,16)/t10?,11-/m1/s1
InChIKeyXEYSZYAQAILBAP-RRKGBCIJSA-N
MW256.35 g/mol
LogP0.93
Rot. Bonds5

About methyl (2R)-1-[1-oxo-1-(propylamino)propan-2-yl]piperidine-2-carboxylate

methyl (2R)-1-[1-oxo-1-(propylamino)propan-2-yl]piperidine-2-carboxylate (PubChem CID 115537824) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is methyl (2R)-1-[1-oxo-1-(propylamino)propan-2-yl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[1-oxo-1-(propylamino)propan-2-yl]piperidine-2-carboxylate
PubChem CID115537824
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Namemethyl (2R)-1-[1-oxo-1-(propylamino)propan-2-yl]piperidine-2-carboxylate
SMILESCCCNC(=O)C(C)N1CCCC[C@@H]1C(=O)OC
InChIInChI=1S/C13H24N2O3/c1-4-8-14-12(16)10(2)15-9-6-5-7-11(15)13(17)18-3/h10-11H,4-9H2,1-3H3,(H,14,16)/t10?,11-/m1/s1
InChIKeyXEYSZYAQAILBAP-RRKGBCIJSA-N
XLogP0.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-2-carboxylate
CID 115536975
methyl 1-(1-ethoxy-1-oxopropan-2-yl)piperidine-2-carboxylate
CID 115536932
methyl (2R)-1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate
CID 115537909
ethyl 1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-2-carboxylate
CID 115539289
2-[2-(hydroxymethyl)piperidin-1-yl]-N-propylpropanamide
CID 62020613
methyl (2S)-1-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 129133775
tert-butyl (2R)-1-[1-(butylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 115537692
ethyl 1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate
CID 78912886
ethyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate
CID 78913541
tert-butyl (2R)-1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 115537691
ethyl 1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]piperidine-2-carboxylate
CID 115539233
methyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 62026904

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-[1-oxo-1-(propylamino)propan-2-yl]piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[1-oxo-1-(propylamino)propan-2-yl]piperidine-2-carboxylate (CID 115537824) is methyl (2R)-1-[1-oxo-1-(propylamino)propan-2-yl]piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[1-oxo-1-(propylamino)propan-2-yl]piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[1-oxo-1-(propylamino)propan-2-yl]piperidine-2-carboxylate is CCCNC(=O)C(C)N1CCCC[C@@H]1C(=O)OC.
What is the InChIKey of methyl (2R)-1-[1-oxo-1-(propylamino)propan-2-yl]piperidine-2-carboxylate?
The InChIKey is XEYSZYAQAILBAP-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-8-14-12(16)10(2)15-9-6-5-7-11(15)13(17)18-3/h10-11H,4-9H2,1-3H3,(H,14,16)/t10?,11-/m1/s1.
What are the key properties of methyl (2R)-1-[1-oxo-1-(propylamino)propan-2-yl]piperidine-2-carboxylate?
methyl (2R)-1-[1-oxo-1-(propylamino)propan-2-yl]piperidine-2-carboxylate has a molecular weight of 256.35 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-[1-oxo-1-(propylamino)propan-2-yl]piperidine-2-carboxylate is sourced from PubChem (CID 115537824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).